N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide

C19H26N2O2 — CID 1072769

IUPACN-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-14-6-2-5-9-17(14)19(23)21-12-10-15(11-13-21)18(22)20-16-7-3-4-8-16/h2,5-6,9,15-16H,3-4,7-8,10-13H2,1H3,(H,20,22)
InChIKeyMAUOURNCELCNFR-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.91
Rot. Bonds3

About N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 1072769) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID1072769
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC NameN-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C19H26N2O2/c1-14-6-2-5-9-17(14)19(23)21-12-10-15(11-13-21)18(22)20-16-7-3-4-8-16/h2,5-6,9,15-16H,3-4,7-8,10-13H2,1H3,(H,20,22)
InChIKeyMAUOURNCELCNFR-UHFFFAOYSA-N
XLogP2.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 1072769) is N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is MAUOURNCELCNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-14-6-2-5-9-17(14)19(23)21-12-10-15(11-13-21)18(22)20-16-7-3-4-8-16/h2,5-6,9,15-16H,3-4,7-8,10-13H2,1H3,(H,20,22).
What are the key properties of N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 314.43 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1072769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).