3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide

C21H29ClN2O2 — CID 108556562

IUPAC3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H29ClN2O2/c22-18-9-6-16(7-10-18)8-11-20(25)23-19-12-14-24(15-13-19)21(26)17-4-2-1-3-5-17/h6-7,9-10,17,19H,1-5,8,11-15H2,(H,23,25)
InChIKeyDWPNYOMTBALTPY-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.96
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide

3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide (PubChem CID 108556562) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
PubChem CID108556562
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC Name3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C21H29ClN2O2/c22-18-9-6-16(7-10-18)8-11-20(25)23-19-12-14-24(15-13-19)21(26)17-4-2-1-3-5-17/h6-7,9-10,17,19H,1-5,8,11-15H2,(H,23,25)
InChIKeyDWPNYOMTBALTPY-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[1-(cyclopentanecarbonyl)piperidin-4-yl]acetamide
CID 110819967
3-(4-chlorophenyl)-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 108556607
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108549997
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-[4-(diethylsulfamoyl)phenyl]propanamide
CID 55690819
3-(4-chlorophenyl)-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 108556549
4-[3-(4-chlorophenyl)propanoylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 108562341
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 55690967
[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-cyclohexylmethanone
CID 113074560
3-(4-chlorophenyl)-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108556555
N-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-thiophen-2-ylpropanamide
CID 110819982
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-(4-ethylphenyl)propanamide
CID 55428414

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide (CID 108556562) is 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide is O=C(CCc1ccc(Cl)cc1)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide?
The InChIKey is DWPNYOMTBALTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-18-9-6-16(7-10-18)8-11-20(25)23-19-12-14-24(15-13-19)21(26)17-4-2-1-3-5-17/h6-7,9-10,17,19H,1-5,8,11-15H2,(H,23,25).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide?
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide has a molecular weight of 376.93 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108556562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).