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

C20H28N2O2 — CID 801556

IUPACN-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-15-7-5-6-10-18(15)20(24)22-13-11-16(12-14-22)19(23)21-17-8-3-2-4-9-17/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3,(H,21,23)
InChIKeyBVRZANYWHFSJFP-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.30
Rot. Bonds3

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

N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 801556) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID801556
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C20H28N2O2/c1-15-7-5-6-10-18(15)20(24)22-13-11-16(12-14-22)19(23)21-17-8-3-2-4-9-17/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3,(H,21,23)
InChIKeyBVRZANYWHFSJFP-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 801556) is N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccccc1C(=O)N1CCC(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is BVRZANYWHFSJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-15-7-5-6-10-18(15)20(24)22-13-11-16(12-14-22)19(23)21-17-8-3-2-4-9-17/h5-7,10,16-17H,2-4,8-9,11-14H2,1H3,(H,21,23).
What are the key properties of N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 801556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).