N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide

C22H27N3O2 — CID 162934093

IUPACN-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC1(O)CCN(Cc2cccnc2)C(c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C22H27N3O2/c1-22(27)11-13-25(15-16-6-5-12-23-14-16)19(17-7-3-2-4-8-17)20(22)24-21(26)18-9-10-18/h2-8,12,14,18-20,27H,9-11,13,15H2,1H3,(H,24,26)
InChIKeyVZYXNEBEPOYJPB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.67
Rot. Bonds5

About N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide

N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide (PubChem CID 162934093) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
PubChem CID162934093
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
SMILESCC1(O)CCN(Cc2cccnc2)C(c2ccccc2)C1NC(=O)C1CC1
InChIInChI=1S/C22H27N3O2/c1-22(27)11-13-25(15-16-6-5-12-23-14-16)19(17-7-3-2-4-8-17)20(22)24-21(26)18-9-10-18/h2-8,12,14,18-20,27H,9-11,13,15H2,1H3,(H,24,26)
InChIKeyVZYXNEBEPOYJPB-UHFFFAOYSA-N
XLogP2.67
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162790397
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
N-[(2S,3S,4R)-4-hydroxy-4-methyl-1-[(1-methylimidazol-2-yl)methyl]-2-phenylpiperidin-3-yl]acetamide
CID 125417085
N-[4-hydroxy-1-[(3-methoxyphenyl)methyl]-4-methyl-2-phenylpiperidin-3-yl]-2-methoxyacetamide
CID 162790407
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
1-[1-(pyridin-3-ylmethyl)azepan-2-yl]propan-2-one
CID 79560623

Frequently Asked Questions

What is the IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide (CID 162934093) is N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide is CC1(O)CCN(Cc2cccnc2)C(c2ccccc2)C1NC(=O)C1CC1.
What is the InChIKey of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
The InChIKey is VZYXNEBEPOYJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-22(27)11-13-25(15-16-6-5-12-23-14-16)19(17-7-3-2-4-8-17)20(22)24-21(26)18-9-10-18/h2-8,12,14,18-20,27H,9-11,13,15H2,1H3,(H,24,26).
What are the key properties of N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide?
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162934093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).