4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide

C22H31N3O2 — CID 650464

IUPAC4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1
InChIInChI=1S/C22H31N3O2/c1-17-7-9-20(10-8-17)24-22(27)25-15-12-19(13-16-25)21(26)23-14-11-18-5-3-2-4-6-18/h5,7-10,19H,2-4,6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyFTMNEIDRQRUFJT-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.25
Rot. Bonds5

About 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide

4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide (PubChem CID 650464) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
PubChem CID650464
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1
InChIInChI=1S/C22H31N3O2/c1-17-7-9-20(10-8-17)24-22(27)25-15-12-19(13-16-25)21(26)23-14-11-18-5-3-2-4-6-18/h5,7-10,19H,2-4,6,11-16H2,1H3,(H,23,26)(H,24,27)
InChIKeyFTMNEIDRQRUFJT-UHFFFAOYSA-N
XLogP4.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide (CID 650464) is 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide is Cc1ccc(NC(=O)N2CCC(C(=O)NCCC3=CCCCC3)CC2)cc1.
What is the InChIKey of 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
The InChIKey is FTMNEIDRQRUFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-7-9-20(10-8-17)24-22(27)25-15-12-19(13-16-25)21(26)23-14-11-18-5-3-2-4-6-18/h5,7-10,19H,2-4,6,11-16H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide?
4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide has a molecular weight of 369.51 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 650464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).