1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide

C21H24N2O2 — CID 2231676

IUPAC1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c22-20(24)18-12-14-23(15-13-18)21(25)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H2,22,24)
InChIKeyRHDKPSJUZXTTBS-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.81
Rot. Bonds5

About 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide

1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 2231676) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide
PubChem CID2231676
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1
InChIInChI=1S/C21H24N2O2/c22-20(24)18-12-14-23(15-13-18)21(25)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H2,22,24)
InChIKeyRHDKPSJUZXTTBS-UHFFFAOYSA-N
XLogP2.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide (CID 2231676) is 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1.
What is the InChIKey of 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is RHDKPSJUZXTTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c22-20(24)18-12-14-23(15-13-18)21(25)19-9-5-4-8-17(19)11-10-16-6-2-1-3-7-16/h1-9,18H,10-15H2,(H2,22,24).
What are the key properties of 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide?
1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 2231676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).