N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

C20H26N2O2 — CID 648286

IUPACN-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-9-11-16(12-10-15)21-19(23)17-7-3-4-8-18(17)20(24)22-13-5-2-6-14-22/h3-4,9-12,17-18H,2,5-8,13-14H2,1H3,(H,21,23)
InChIKeyXWRKSKOBCZOXJA-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.53
Rot. Bonds3

About N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide

N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (PubChem CID 648286) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
PubChem CID648286
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide
SMILESCc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2/c1-15-9-11-16(12-10-15)21-19(23)17-7-3-4-8-18(17)20(24)22-13-5-2-6-14-22/h3-4,9-12,17-18H,2,5-8,13-14H2,1H3,(H,21,23)
InChIKeyXWRKSKOBCZOXJA-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide (CID 648286) is N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is Cc1ccc(NC(=O)C2CC=CCC2C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is XWRKSKOBCZOXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-15-9-11-16(12-10-15)21-19(23)17-7-3-4-8-18(17)20(24)22-13-5-2-6-14-22/h3-4,9-12,17-18H,2,5-8,13-14H2,1H3,(H,21,23).
What are the key properties of N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide?
N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-6-(piperidine-1-carbonyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 648286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).