tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine

C80H120ClF2N14O11+ — CID 161271075

IUPACtert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine
SMILESC1COC[C@H](NC2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCCOC2)CC1.CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.N[C@@H]1CCCOC1.[CH2+]Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C25H32FN5O2.C15H12ClFN3O.C15H28N2O3.C10H20N2O.C10H17NO3.C5H11NO/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-13-5-4-10-19-11-13;1-2-10(8-13-7-1)12-9-3-5-11-6-4-9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-2-1-3-7-4-5/h12-13,18-19,28H,4-11,14H2,1-3H3;5-6H,1,4H2,2-3H3;12-13,16H,4-11H2,1-3H3;9-12H,1-8H2;4-7H2,1-3H3;5H,1-4,6H2/q;+1;;;;/t19-;;13-;10-;;5-/m1.11.1/s1
InChIKeyVDVAHOIYIPAEJP-SCSCWDQTSA-N
MW1527.38 g/mol
LogP12.78
Rot. Bonds11

About tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine

tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine (PubChem CID 161271075) has the molecular formula C80H120ClF2N14O11+ and a molecular weight of 1527.38 g/mol. Its IUPAC name is tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine.

Molecular Properties

Compound Nametert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine
PubChem CID161271075
Molecular FormulaC80H120ClF2N14O11+
Molecular Weight1527.38 g/mol
Exact Mass1525.89
IUPAC Nametert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine
SMILESC1COC[C@H](NC2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCCOC2)CC1.CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.N[C@@H]1CCCOC1.[CH2+]Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1
InChIInChI=1S/C25H32FN5O2.C15H12ClFN3O.C15H28N2O3.C10H20N2O.C10H17NO3.C5H11NO/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-13-5-4-10-19-11-13;1-2-10(8-13-7-1)12-9-3-5-11-6-4-9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-2-1-3-7-4-5/h12-13,18-19,28H,4-11,14H2,1-3H3;5-6H,1,4H2,2-3H3;12-13,16H,4-11H2,1-3H3;9-12H,1-8H2;4-7H2,1-3H3;5H,1-4,6H2/q;+1;;;;/t19-;;13-;10-;;5-/m1.11.1/s1
InChIKeyVDVAHOIYIPAEJP-SCSCWDQTSA-N
XLogP12.78
TPSA294.07 Ų
H-Bond Donors5
H-Bond Acceptors23
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001527.38
LogP ≤ 512.78
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

1-(6-Ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-quinolinyl)-N-(tetrahydro-2H-pyran-4-yl)-4-piperidinamine
CID 137434175
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 137434120
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 137434196
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 137434366
1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434496
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxolan-3-yl]piperidin-4-amine
CID 135329044
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 135329090
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxan-3-yl]piperidin-4-amine
CID 135329094
1-[6-ethyl-8-fluoro-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine
CID 137434204
(2R,4S)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-(oxan-4-yl)piperidin-4-amine
CID 135329040
(2R,4R)-1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-2-methyl-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 135329081
1-[6-cyclobutyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3S)-oxolan-3-yl]piperidin-4-amine
CID 137434125

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine?
The IUPAC name of tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine (CID 161271075) is tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine.
What is the SMILES notation for tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine?
The canonical SMILES for tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine is C1COC[C@H](NC2CCNCC2)C1.CC(C)(C)OC(=O)N1CCC(=O)CC1.CC(C)(C)OC(=O)N1CCC(N[C@@H]2CCCOC2)CC1.CCc1cc(F)c2nc(N3CCC(N[C@@H]4CCCOC4)CC3)c(-c3nc(C)no3)c(C)c2c1.N[C@@H]1CCCOC1.[CH2+]Cc1cc(F)c2nc(Cl)c(-c3nc(C)no3)c(C)c2c1.
What is the InChIKey of tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine?
The InChIKey is VDVAHOIYIPAEJP-SCSCWDQTSA-N. The full InChI is InChI=1S/C25H32FN5O2.C15H12ClFN3O.C15H28N2O3.C10H20N2O.C10H17NO3.C5H11NO/c1-4-17-12-20-15(2)22(25-27-16(3)30-33-25)24(29-23(20)21(26)13-17)31-9-7-18(8-10-31)28-19-6-5-11-32-14-19;1-4-9-5-10-7(2)12(15-18-8(3)20-21-15)14(16)19-13(10)11(17)6-9;1-15(2,3)20-14(18)17-8-6-12(7-9-17)16-13-5-4-10-19-11-13;1-2-10(8-13-7-1)12-9-3-5-11-6-4-9;1-10(2,3)14-9(13)11-6-4-8(12)5-7-11;6-5-2-1-3-7-4-5/h12-13,18-19,28H,4-11,14H2,1-3H3;5-6H,1,4H2,2-3H3;12-13,16H,4-11H2,1-3H3;9-12H,1-8H2;4-7H2,1-3H3;5H,1-4,6H2/q;+1;;;;/t19-;;13-;10-;;5-/m1.11.1/s1.
What are the key properties of tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine?
tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine has a molecular weight of 1527.38 g/mol, XLogP of 12.78, 11 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3R)-oxan-3-yl]amino]piperidine-1-carboxylate;tert-butyl 4-oxopiperidine-1-carboxylate;5-(2-chloro-6-ethyl-8-fluoro-4-methylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]-N-[(3R)-oxan-3-yl]piperidin-4-amine;(3R)-oxan-3-amine;N-[(3R)-oxan-3-yl]piperidin-4-amine is sourced from PubChem (CID 161271075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).