2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)

C186H365F9N32O22 — CID 160703843

IUPAC2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)
SMILESCC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1
InChIInChI=1S/3C12H24N2O.3C11H20F2N2O.3C11H21FN2O.2C11H22N2O.3C10H20N2O.C8H15NO2.3C8H17NO2/c3*1-10(2)13-11(15)9-12(3)5-7-14(4)8-6-12;3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-9(2)13-10(15)8-11(12)4-6-14(3)7-5-11;2*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;3*1-9(2)11-10(13)8-12-6-4-3-5-7-12;1-5(2)9-8(11)7(10)6-3-4-6;3*1-5(2)7(10)8(11)9-6(3)4/h3*10H,5-9H2,1-4H3,(H,13,15);3*8-9H,4-7H2,1-3H3,(H,14,16);3*9H,4-8H2,1-3H3,(H,13,15);2*9-10H,4-8H2,1-3H3,(H,12,14);3*9H,3-8H2,1-2H3,(H,11,13);5-7,10H,3-4H2,1-2H3,(H,9,11);3*5-7,10H,1-4H3,(H,9,11)
InChIKeyRQYQCOQOEOJHNX-UHFFFAOYSA-N
MW3573.15 g/mol
LogP20.71
Rot. Bonds54

About 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)

2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide) (PubChem CID 160703843) has the molecular formula C186H365F9N32O22 and a molecular weight of 3573.15 g/mol. Its IUPAC name is 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide).

Molecular Properties

Compound Name2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)
PubChem CID160703843
Molecular FormulaC186H365F9N32O22
Molecular Weight3573.15 g/mol
Exact Mass3570.83
IUPAC Name2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)
SMILESCC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1
InChIInChI=1S/3C12H24N2O.3C11H20F2N2O.3C11H21FN2O.2C11H22N2O.3C10H20N2O.C8H15NO2.3C8H17NO2/c3*1-10(2)13-11(15)9-12(3)5-7-14(4)8-6-12;3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-9(2)13-10(15)8-11(12)4-6-14(3)7-5-11;2*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;3*1-9(2)11-10(13)8-12-6-4-3-5-7-12;1-5(2)9-8(11)7(10)6-3-4-6;3*1-5(2)7(10)8(11)9-6(3)4/h3*10H,5-9H2,1-4H3,(H,13,15);3*8-9H,4-7H2,1-3H3,(H,14,16);3*9H,4-8H2,1-3H3,(H,13,15);2*9-10H,4-8H2,1-3H3,(H,12,14);3*9H,3-8H2,1-2H3,(H,11,13);5-7,10H,3-4H2,1-2H3,(H,9,11);3*5-7,10H,1-4H3,(H,9,11)
InChIKeyRQYQCOQOEOJHNX-UHFFFAOYSA-N
XLogP20.71
TPSA650.08 Ų
H-Bond Donors22
H-Bond Acceptors36
Rotatable Bonds54
Heavy Atoms249
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003573.15
LogP ≤ 520.71
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1036

Analyze 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide) with MolForge

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Related Compounds

bis(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
CID 157342086
tris(tert-butyl N-propan-2-ylcarbamate);tris(2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide);tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);tris(2-morpholin-4-yl-N-propan-2-ylacetamide)
CID 158935524
N-(3-amino-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-(dimethylamino)-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopentane-1-carboxamide;1-hydroxy-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclopropane-1-carboxamide;N-[4-(hydroxymethyl)-1-propan-2-ylpiperidin-4-yl]-3-methylbutanamide;N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)-3-methylbutanamide;1-methyl-N-(4-methyl-1-propan-2-ylpiperidin-4-yl)cyclobutane-1-carboxamide;2-methyl-N-[4-(2-morpholin-4-ylethoxymethyl)-1-propan-2-ylpiperidin-4-yl]propanamide;4,4,4-trifluoro-N-(3-hydroxy-1-propan-2-ylpiperidin-4-yl)butanamide
CID 159040820
tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);bis(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);2-morpholin-4-yl-N-propan-2-ylacetamide;bis(2-piperidin-1-yl-N-propan-2-ylacetamide)
CID 159653205

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)?
The IUPAC name of 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide) (CID 160703843) is 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide).
What is the SMILES notation for 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)?
The canonical SMILES for 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide) is CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C(C)C.CC(C)NC(=O)C(O)C1CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(C)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1(F)CCN(C)CC1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCCN(C)C1.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CC1CCN(C)CC1(F)F.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1.CC(C)NC(=O)CN1CCCCC1.
What is the InChIKey of 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)?
The InChIKey is RQYQCOQOEOJHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C12H24N2O.3C11H20F2N2O.3C11H21FN2O.2C11H22N2O.3C10H20N2O.C8H15NO2.3C8H17NO2/c3*1-10(2)13-11(15)9-12(3)5-7-14(4)8-6-12;3*1-8(2)14-10(16)6-9-4-5-15(3)7-11(9,12)13;3*1-9(2)13-10(15)8-11(12)4-6-14(3)7-5-11;2*1-9(2)12-11(14)7-10-5-4-6-13(3)8-10;3*1-9(2)11-10(13)8-12-6-4-3-5-7-12;1-5(2)9-8(11)7(10)6-3-4-6;3*1-5(2)7(10)8(11)9-6(3)4/h3*10H,5-9H2,1-4H3,(H,13,15);3*8-9H,4-7H2,1-3H3,(H,14,16);3*9H,4-8H2,1-3H3,(H,13,15);2*9-10H,4-8H2,1-3H3,(H,12,14);3*9H,3-8H2,1-2H3,(H,11,13);5-7,10H,3-4H2,1-2H3,(H,9,11);3*5-7,10H,1-4H3,(H,9,11).
What are the key properties of 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide)?
2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide) has a molecular weight of 3573.15 g/mol, XLogP of 20.71, 54 rotatable bonds, 22 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-hydroxy-N-propan-2-ylacetamide;tris(2-(3,3-difluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(1,4-dimethylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-(4-fluoro-1-methylpiperidin-4-yl)-N-propan-2-ylacetamide);tris(2-hydroxy-3-methyl-N-propan-2-ylbutanamide);bis(2-(1-methylpiperidin-3-yl)-N-propan-2-ylacetamide);tris(2-piperidin-1-yl-N-propan-2-ylacetamide) is sourced from PubChem (CID 160703843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).