N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide

C22H31N3O3 — CID 46104007

IUPACN-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H31N3O3/c26-20(17-7-3-1-4-8-17)23-13-14-24-21(27)18-11-15-25(16-12-18)22(28)19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,26)(H,24,27)
InChIKeyOLDHBULAWLMIDK-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.35
Rot. Bonds6

About N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide

N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide (PubChem CID 46104007) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
PubChem CID46104007
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
SMILESO=C(NCCNC(=O)C1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H31N3O3/c26-20(17-7-3-1-4-8-17)23-13-14-24-21(27)18-11-15-25(16-12-18)22(28)19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,26)(H,24,27)
InChIKeyOLDHBULAWLMIDK-UHFFFAOYSA-N
XLogP2.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(2-benzamidoethyl)piperidine-4-carboxamide
CID 42878771
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 110801022
N-[4-[[1-(cyclohexanecarbonyl)piperidin-4-yl]amino]-4-oxobutyl]benzamide
CID 46463757
1-(cyclopropanecarbonyl)-N-[2-[(4-methoxybenzoyl)amino]ethyl]piperidine-4-carboxamide
CID 55880213
N-(2-benzamidoethyl)-1-pentanoylpiperidine-4-carboxamide
CID 46103996
N-(2-benzamidoethyl)-1-propanoylpiperidine-3-carboxamide
CID 47049072
1-[1-(cyclobutanecarbonyl)piperidin-4-yl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 42881329
1-(cyclobutanecarbonyl)-N-[3-(2-fluorophenyl)propyl]piperidine-4-carboxamide
CID 72922541
N-(2-benzamidoethyl)-1-[2-(4-chlorophenoxy)acetyl]piperidine-4-carboxamide
CID 46104013
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
N-[2-[4-(cyclohexanecarbonyl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 29200105
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812

Frequently Asked Questions

What is the IUPAC name of N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide (CID 46104007) is N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide is O=C(NCCNC(=O)C1CCN(C(=O)C2CCCCC2)CC1)c1ccccc1.
What is the InChIKey of N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
The InChIKey is OLDHBULAWLMIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-20(17-7-3-1-4-8-17)23-13-14-24-21(27)18-11-15-25(16-12-18)22(28)19-9-5-2-6-10-19/h1,3-4,7-8,18-19H,2,5-6,9-16H2,(H,23,26)(H,24,27).
What are the key properties of N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide?
N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzamidoethyl)-1-(cyclohexanecarbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 46104007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).