N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide

C21H30N2O3 — CID 162790470

IUPACN-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1C(c2ccccc2)N(C(=O)C2CCCCC2)CCC1(C)O
InChIInChI=1S/C21H30N2O3/c1-15(24)22-19-18(16-9-5-3-6-10-16)23(14-13-21(19,2)26)20(25)17-11-7-4-8-12-17/h3,5-6,9-10,17-19,26H,4,7-8,11-14H2,1-2H3,(H,22,24)
InChIKeyXVHIBAHIVJXLAF-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.80
Rot. Bonds3

About N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide

N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide (PubChem CID 162790470) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide
PubChem CID162790470
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide
SMILESCC(=O)NC1C(c2ccccc2)N(C(=O)C2CCCCC2)CCC1(C)O
InChIInChI=1S/C21H30N2O3/c1-15(24)22-19-18(16-9-5-3-6-10-16)23(14-13-21(19,2)26)20(25)17-11-7-4-8-12-17/h3,5-6,9-10,17-19,26H,4,7-8,11-14H2,1-2H3,(H,22,24)
InChIKeyXVHIBAHIVJXLAF-UHFFFAOYSA-N
XLogP2.80
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-4-hydroxy-4-methyl-2-phenyl-N-propan-2-ylpiperidine-1-carboxamide
CID 162799918
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
CID 162801614
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790486
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790730
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
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-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 162790633
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-thiophen-2-ylpiperidin-3-yl]-2-methoxyacetamide
CID 163073903
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
3-(cyclopropanecarbonylamino)-4-hydroxy-4-methyl-2-phenyl-N-propylpiperidine-1-carboxamide
CID 162790473
N-[4-hydroxy-4-methyl-2-phenyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]acetamide
CID 162812410

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide?
The IUPAC name of N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide (CID 162790470) is N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide?
The canonical SMILES for N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide is CC(=O)NC1C(c2ccccc2)N(C(=O)C2CCCCC2)CCC1(C)O.
What is the InChIKey of N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide?
The InChIKey is XVHIBAHIVJXLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(24)22-19-18(16-9-5-3-6-10-16)23(14-13-21(19,2)26)20(25)17-11-7-4-8-12-17/h3,5-6,9-10,17-19,26H,4,7-8,11-14H2,1-2H3,(H,22,24).
What are the key properties of N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide?
N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide has a molecular weight of 358.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexanecarbonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]acetamide is sourced from PubChem (CID 162790470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).