3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide

C21H31N3O2 — CID 50788931

IUPAC3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NC3CCCCC3)c2)C1
InChIInChI=1S/C21H31N3O2/c1-2-22-21(26)24-13-7-10-18(15-24)16-8-6-9-17(14-16)20(25)23-19-11-4-3-5-12-19/h6,8-9,14,18-19H,2-5,7,10-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyYXOBNUHCUBZMOO-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.66
Rot. Bonds4

About 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide

3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 50788931) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
PubChem CID50788931
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NC3CCCCC3)c2)C1
InChIInChI=1S/C21H31N3O2/c1-2-22-21(26)24-13-7-10-18(15-24)16-8-6-9-17(14-16)20(25)23-19-11-4-3-5-12-19/h6,8-9,14,18-19H,2-5,7,10-13,15H2,1H3,(H,22,26)(H,23,25)
InChIKeyYXOBNUHCUBZMOO-UHFFFAOYSA-N
XLogP3.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034
N-cyclopentyl-3-[1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 46333971
N-cyclopentyl-3-[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]benzamide
CID 92872382
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
3-[3-(cyclopropylcarbamoyl)phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 50789048
N-ethyl-3-[3-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788874
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910

Frequently Asked Questions

What is the IUPAC name of 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide (CID 50788931) is 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)NC3CCCCC3)c2)C1.
What is the InChIKey of 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is YXOBNUHCUBZMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-2-22-21(26)24-13-7-10-18(15-24)16-8-6-9-17(14-16)20(25)23-19-11-4-3-5-12-19/h6,8-9,14,18-19H,2-5,7,10-13,15H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide?
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 357.50 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 50788931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).