(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide

C119H189ClF11N19O22 — CID 162278345

IUPAC(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CC[C@H](OC(C)C)[C@H](F)C1.CC(C)OC1CCC(=O)C(F)(F)C1.CC(C)O[C@@H]1[C@H](F)CN(C(=O)[C@@H]2CCC(=O)C2)CC1(C)C.CC(C)O[C@H]1CCN(C(=O)c2cc(Cl)[nH]n2)C[C@H]1F.CC(C)O[C@H]1CCN(C(=O)c2ccnn2CCO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)c2nc(N)n[nH]2)C[C@H]1F.CC(C)O[C@H]1[C@@H](F)CN(C(=O)CC#N)CC1(C)C.CC(C)O[C@H]1[C@@H](F)CN(C(=O)[C@@H]2CCC(=O)C2)CC1(C)C.Cc1cc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)c(C)[nH]1
InChIInChI=1S/2C16H26FNO3.C15H23FN2O2.C14H21F2N3O3.C13H23FN2O3.C13H21FN2O2.C12H17ClFN3O2.C11H18FN5O2.C9H14F2O2/c2*1-10(2)21-14-13(17)8-18(9-16(14,3)4)15(20)11-5-6-12(19)7-11;1-9(2)20-14-5-6-18(8-13(14)16)15(19)12-7-10(3)17-11(12)4;1-10(2)22-12-4-6-18(9-14(12,15)16)13(21)11-3-5-17-19(11)7-8-20;1-8(2)19-12-5-6-16(7-11(12)14)13(18)9(3)15-10(4)17;1-9(2)18-12-10(14)7-16(8-13(12,3)4)11(17)5-6-15;1-7(2)19-10-3-4-17(6-8(10)14)12(18)9-5-11(13)16-15-9;1-6(2)19-8-3-4-17(5-7(8)12)10(18)9-14-11(13)16-15-9;1-6(2)13-7-3-4-8(12)9(10,11)5-7/h2*10-11,13-14H,5-9H2,1-4H3;7,9,13-14,17H,5-6,8H2,1-4H3;3,5,10,12,20H,4,6-9H2,1-2H3;8-9,11-12H,5-7H2,1-4H3,(H,15,17);9-10,12H,5,7-8H2,1-4H3;5,7-8,10H,3-4,6H2,1-2H3,(H,15,16);6-8H,3-5H2,1-2H3,(H3,13,14,15,16);6-7H,3-5H2,1-2H3/t11-,13+,14+;11-,13-,14-;13-,14+;12-;9-,11+,12-;10-,12-;8-,10+;7-,8+;/m11100011./s1
InChIKeyFZNSBDAAOQMWKF-FUMHYFSBSA-N
MW2482.36 g/mol
LogP15.82
Rot. Bonds29

About (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide

(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide (PubChem CID 162278345) has the molecular formula C119H189ClF11N19O22 and a molecular weight of 2482.36 g/mol. Its IUPAC name is (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
PubChem CID162278345
Molecular FormulaC119H189ClF11N19O22
Molecular Weight2482.36 g/mol
Exact Mass2480.38
IUPAC Name(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)C(=O)N1CC[C@H](OC(C)C)[C@H](F)C1.CC(C)OC1CCC(=O)C(F)(F)C1.CC(C)O[C@@H]1[C@H](F)CN(C(=O)[C@@H]2CCC(=O)C2)CC1(C)C.CC(C)O[C@H]1CCN(C(=O)c2cc(Cl)[nH]n2)C[C@H]1F.CC(C)O[C@H]1CCN(C(=O)c2ccnn2CCO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)c2nc(N)n[nH]2)C[C@H]1F.CC(C)O[C@H]1[C@@H](F)CN(C(=O)CC#N)CC1(C)C.CC(C)O[C@H]1[C@@H](F)CN(C(=O)[C@@H]2CCC(=O)C2)CC1(C)C.Cc1cc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)c(C)[nH]1
InChIInChI=1S/2C16H26FNO3.C15H23FN2O2.C14H21F2N3O3.C13H23FN2O3.C13H21FN2O2.C12H17ClFN3O2.C11H18FN5O2.C9H14F2O2/c2*1-10(2)21-14-13(17)8-18(9-16(14,3)4)15(20)11-5-6-12(19)7-11;1-9(2)20-14-5-6-18(8-13(14)16)15(19)12-7-10(3)17-11(12)4;1-10(2)22-12-4-6-18(9-14(12,15)16)13(21)11-3-5-17-19(11)7-8-20;1-8(2)19-12-5-6-16(7-11(12)14)13(18)9(3)15-10(4)17;1-9(2)18-12-10(14)7-16(8-13(12,3)4)11(17)5-6-15;1-7(2)19-10-3-4-17(6-8(10)14)12(18)9-5-11(13)16-15-9;1-6(2)19-8-3-4-17(5-7(8)12)10(18)9-14-11(13)16-15-9;1-6(2)13-7-3-4-8(12)9(10,11)5-7/h2*10-11,13-14H,5-9H2,1-4H3;7,9,13-14,17H,5-6,8H2,1-4H3;3,5,10,12,20H,4,6-9H2,1-2H3;8-9,11-12H,5-7H2,1-4H3,(H,15,17);9-10,12H,5,7-8H2,1-4H3;5,7-8,10H,3-4,6H2,1-2H3,(H,15,16);6-8H,3-5H2,1-2H3,(H3,13,14,15,16);6-7H,3-5H2,1-2H3/t11-,13+,14+;11-,13-,14-;13-,14+;12-;9-,11+,12-;10-,12-;8-,10+;7-,8+;/m11100011./s1
InChIKeyFZNSBDAAOQMWKF-FUMHYFSBSA-N
XLogP15.82
TPSA499.76 Ų
H-Bond Donors6
H-Bond Acceptors29
Rotatable Bonds29
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002482.36
LogP ≤ 515.82
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1029

Analyze (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The IUPAC name of (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide (CID 162278345) is (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The canonical SMILES for (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide is CC(=O)N[C@@H](C)C(=O)N1CC[C@H](OC(C)C)[C@H](F)C1.CC(C)OC1CCC(=O)C(F)(F)C1.CC(C)O[C@@H]1[C@H](F)CN(C(=O)[C@@H]2CCC(=O)C2)CC1(C)C.CC(C)O[C@H]1CCN(C(=O)c2cc(Cl)[nH]n2)C[C@H]1F.CC(C)O[C@H]1CCN(C(=O)c2ccnn2CCO)CC1(F)F.CC(C)O[C@H]1CCN(C(=O)c2nc(N)n[nH]2)C[C@H]1F.CC(C)O[C@H]1[C@@H](F)CN(C(=O)CC#N)CC1(C)C.CC(C)O[C@H]1[C@@H](F)CN(C(=O)[C@@H]2CCC(=O)C2)CC1(C)C.Cc1cc(C(=O)N2CC[C@H](OC(C)C)[C@H](F)C2)c(C)[nH]1.
What is the InChIKey of (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
The InChIKey is FZNSBDAAOQMWKF-FUMHYFSBSA-N. The full InChI is InChI=1S/2C16H26FNO3.C15H23FN2O2.C14H21F2N3O3.C13H23FN2O3.C13H21FN2O2.C12H17ClFN3O2.C11H18FN5O2.C9H14F2O2/c2*1-10(2)21-14-13(17)8-18(9-16(14,3)4)15(20)11-5-6-12(19)7-11;1-9(2)20-14-5-6-18(8-13(14)16)15(19)12-7-10(3)17-11(12)4;1-10(2)22-12-4-6-18(9-14(12,15)16)13(21)11-3-5-17-19(11)7-8-20;1-8(2)19-12-5-6-16(7-11(12)14)13(18)9(3)15-10(4)17;1-9(2)18-12-10(14)7-16(8-13(12,3)4)11(17)5-6-15;1-7(2)19-10-3-4-17(6-8(10)14)12(18)9-5-11(13)16-15-9;1-6(2)19-8-3-4-17(5-7(8)12)10(18)9-14-11(13)16-15-9;1-6(2)13-7-3-4-8(12)9(10,11)5-7/h2*10-11,13-14H,5-9H2,1-4H3;7,9,13-14,17H,5-6,8H2,1-4H3;3,5,10,12,20H,4,6-9H2,1-2H3;8-9,11-12H,5-7H2,1-4H3,(H,15,17);9-10,12H,5,7-8H2,1-4H3;5,7-8,10H,3-4,6H2,1-2H3,(H,15,16);6-8H,3-5H2,1-2H3,(H3,13,14,15,16);6-7H,3-5H2,1-2H3/t11-,13+,14+;11-,13-,14-;13-,14+;12-;9-,11+,12-;10-,12-;8-,10+;7-,8+;/m11100011./s1.
What are the key properties of (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide?
(3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide has a molecular weight of 2482.36 g/mol, XLogP of 15.82, 29 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-1,2,4-triazol-5-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(5-chloro-1H-pyrazol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;2,2-difluoro-4-propan-2-yloxycyclohexan-1-one;[(4S)-3,3-difluoro-4-propan-2-yloxypiperidin-1-yl]-[2-(2-hydroxyethyl)pyrazol-3-yl]methanone;(2,5-dimethyl-1H-pyrrol-3-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone;(3R)-3-[(4S,5R)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;(3R)-3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidine-1-carbonyl]cyclopentan-1-one;3-[(4R,5S)-5-fluoro-3,3-dimethyl-4-propan-2-yloxypiperidin-1-yl]-3-oxopropanenitrile;N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 162278345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).