(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide

C25H32F2N4O2 — CID 54093625

IUPAC(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC(F)(F)C3)CC2)n1
InChIInChI=1S/C25H32F2N4O2/c26-24(27)13-5-8-19(16-24)25(33,18-6-2-1-3-7-18)23(32)30-20-11-14-31(15-12-20)17-21-9-4-10-22(28)29-21/h1-4,6-7,9-10,19-20,33H,5,8,11-17H2,(H2,28,29)(H,30,32)/t19?,25-/m0/s1
InChIKeyMVORKOSSEUHSQC-BIAFCPFJSA-N
MW458.55 g/mol
LogP3.46
Rot. Bonds6

About (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide

(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide (PubChem CID 54093625) has the molecular formula C25H32F2N4O2 and a molecular weight of 458.55 g/mol. Its IUPAC name is (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
PubChem CID54093625
Molecular FormulaC25H32F2N4O2
Molecular Weight458.55 g/mol
Exact Mass458.25
IUPAC Name(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide
SMILESNc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC(F)(F)C3)CC2)n1
InChIInChI=1S/C25H32F2N4O2/c26-24(27)13-5-8-19(16-24)25(33,18-6-2-1-3-7-18)23(32)30-20-11-14-31(15-12-20)17-21-9-4-10-22(28)29-21/h1-4,6-7,9-10,19-20,33H,5,8,11-17H2,(H2,28,29)(H,30,32)/t19?,25-/m0/s1
InChIKeyMVORKOSSEUHSQC-BIAFCPFJSA-N
XLogP3.46
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.55
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide with MolForge

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Related Compounds

(2R)-N-[1-[(6-amino-4-chloro-2-pyridinyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 54314105
(2R)-N-(1-benzylpiperidin-4-yl)-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 102016686
(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]-1-methylpiperidin-1-ium-4-yl]-2-(3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetamide
CID 10326009
N-[1-[(3,5-diaminophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 174397651
(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-hydroxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 10646948
2-cyclopentyl-2-hydroxy-2-phenyl-N-[1-(quinolin-2-ylmethyl)piperidin-4-yl]acetamide
CID 23289915
(2R)-N-[1-[(4-amino-3-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 54111593
2-cyclopentyl-2-hydroxy-N-[1-[[4-(hydroxymethyl)-2-pyridinyl]methyl]piperidin-4-yl]-2-phenylacetamide
CID 23289921
2-cyclopentyl-N-[1-(cyclopentylmethyl)piperidin-4-yl]-2-hydroxy-2-phenylacetamide
CID 10810094
N-[1-(cyclopenten-1-ylmethyl)piperidin-4-yl]-2-cyclopentyl-2-hydroxy-2-phenylacetamide
CID 18922005
N-[1-[(4-amino-3-fluorophenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-[(3-amino-5-methoxyphenyl)methyl]piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;N-[1-(6-amino-4-methyl-2-pyridinyl)piperidin-4-yl]-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-2-phenylacetamide;(2R)-2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-2-phenylacetamide;2-[(1R)-3,3-difluorocyclopentyl]-2-hydroxy-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-phenylacetamide
CID 173297610
(3-methyl-3-azabicyclo[3.1.0]hexan-6-yl)methyl (2R)-2-[(1S)-3,3-difluorocyclohexyl]-2-hydroxy-2-phenylacetate
CID 91326372

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
The IUPAC name of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide (CID 54093625) is (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
The canonical SMILES for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide is Nc1cccc(CN2CCC(NC(=O)[C@](O)(c3ccccc3)C3CCCC(F)(F)C3)CC2)n1.
What is the InChIKey of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
The InChIKey is MVORKOSSEUHSQC-BIAFCPFJSA-N. The full InChI is InChI=1S/C25H32F2N4O2/c26-24(27)13-5-8-19(16-24)25(33,18-6-2-1-3-7-18)23(32)30-20-11-14-31(15-12-20)17-21-9-4-10-22(28)29-21/h1-4,6-7,9-10,19-20,33H,5,8,11-17H2,(H2,28,29)(H,30,32)/t19?,25-/m0/s1.
What are the key properties of (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide?
(2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide has a molecular weight of 458.55 g/mol, XLogP of 3.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-[(6-amino-2-pyridinyl)methyl]piperidin-4-yl]-2-(3,3-difluorocyclohexyl)-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 54093625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).