N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide

C25H32N2O2 — CID 162801614

IUPACN-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
SMILESCC1(O)CCN(Cc2ccccc2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C25H32N2O2/c1-25(29)16-17-27(18-19-10-4-2-5-11-19)22(20-12-6-3-7-13-20)23(25)26-24(28)21-14-8-9-15-21/h2-7,10-13,21-23,29H,8-9,14-18H2,1H3,(H,26,28)
InChIKeyHQNJNDKPTCZPAV-UHFFFAOYSA-N
MW392.54 g/mol
LogP4.06
Rot. Bonds5

About N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide

N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide (PubChem CID 162801614) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
PubChem CID162801614
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC NameN-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide
SMILESCC1(O)CCN(Cc2ccccc2)C(c2ccccc2)C1NC(=O)C1CCCC1
InChIInChI=1S/C25H32N2O2/c1-25(29)16-17-27(18-19-10-4-2-5-11-19)22(20-12-6-3-7-13-20)23(25)26-24(28)21-14-8-9-15-21/h2-7,10-13,21-23,29H,8-9,14-18H2,1H3,(H,26,28)
InChIKeyHQNJNDKPTCZPAV-UHFFFAOYSA-N
XLogP4.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopentanecarboxamide
CID 162790477
N-[1-[(3-fluorophenyl)methyl]-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162907607
N-(4-hydroxy-4-methyl-2-phenyl-1-propylpiperidin-3-yl)cyclopentanecarboxamide
CID 162968981
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyridin-3-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162934093
N-[4-hydroxy-4-methyl-2-phenyl-1-(pyrimidin-5-ylmethyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162790397
N-[1-(3,3-dimethylbutyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162933425
N-[4-hydroxy-4-methyl-2-phenyl-1-(3-phenylpropyl)piperidin-3-yl]cyclopropanecarboxamide
CID 162907254
N-[1-(benzenesulfonyl)-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790730
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-phenylpiperidin-3-yl]acetamide
CID 162790470
N-[4-hydroxy-4-methyl-1-(2-phenoxyacetyl)-2-phenylpiperidin-3-yl]cyclopentanecarboxamide
CID 162790486
N-[4-hydroxy-4-methyl-1-(3-phenylpropyl)-2-thiophen-2-ylpiperidin-3-yl]cyclopentanecarboxamide
CID 162799348

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide (CID 162801614) is N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide is CC1(O)CCN(Cc2ccccc2)C(c2ccccc2)C1NC(=O)C1CCCC1.
What is the InChIKey of N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide?
The InChIKey is HQNJNDKPTCZPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-25(29)16-17-27(18-19-10-4-2-5-11-19)22(20-12-6-3-7-13-20)23(25)26-24(28)21-14-8-9-15-21/h2-7,10-13,21-23,29H,8-9,14-18H2,1H3,(H,26,28).
What are the key properties of N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide?
N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4-hydroxy-4-methyl-2-phenylpiperidin-3-yl)cyclopentanecarboxamide is sourced from PubChem (CID 162801614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).