N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide

C20H28N2O2 — CID 2817995

IUPACN-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C20H28N2O2/c23-19(15-16-7-3-1-4-8-16)22-13-11-18(12-14-22)21-20(24)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)
InChIKeyCQWDZBWTBDIVGQ-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.92
Rot. Bonds4

About N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 2817995) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID2817995
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)Cc2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C20H28N2O2/c23-19(15-16-7-3-1-4-8-16)22-13-11-18(12-14-22)21-20(24)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24)
InChIKeyCQWDZBWTBDIVGQ-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 47086866
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204
N-[1-(2-phenylacetyl)piperidin-4-yl]propanamide
CID 110820721
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-benzyl-4-(cyclobutanecarbonylamino)piperidine-1-carboxamide
CID 110821711

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide (CID 2817995) is N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(C(=O)Cc2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is CQWDZBWTBDIVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c23-19(15-16-7-3-1-4-8-16)22-13-11-18(12-14-22)21-20(24)17-9-5-2-6-10-17/h1,3-4,7-8,17-18H,2,5-6,9-15H2,(H,21,24).
What are the key properties of N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 328.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 2817995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).