3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide

C21H31ClN2O — CID 74340181

IUPAC3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccccc1Cl)NC1CCCCC1CN1CCCCC1
InChIInChI=1S/C21H31ClN2O/c22-19-10-4-2-8-17(19)12-13-21(25)23-20-11-5-3-9-18(20)16-24-14-6-1-7-15-24/h2,4,8,10,18,20H,1,3,5-7,9,11-16H2,(H,23,25)
InChIKeyXFFMZOVTFZQXGU-UHFFFAOYSA-N
MW362.95 g/mol
LogP4.43
Rot. Bonds6

About 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide

3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide (PubChem CID 74340181) has the molecular formula C21H31ClN2O and a molecular weight of 362.95 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
PubChem CID74340181
Molecular FormulaC21H31ClN2O
Molecular Weight362.95 g/mol
Exact Mass362.21
IUPAC Name3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
SMILESO=C(CCc1ccccc1Cl)NC1CCCCC1CN1CCCCC1
InChIInChI=1S/C21H31ClN2O/c22-19-10-4-2-8-17(19)12-13-21(25)23-20-11-5-3-9-18(20)16-24-14-6-1-7-15-24/h2,4,8,10,18,20H,1,3,5-7,9,11-16H2,(H,23,25)
InChIKeyXFFMZOVTFZQXGU-UHFFFAOYSA-N
XLogP4.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.95
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]acetamide
CID 74340123
2-chloro-N-[(1R,2S)-2-(piperidin-1-ylmethyl)cyclohexyl]benzamide
CID 24872464
N-[2-(piperidin-1-ylmethyl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 74340203
3-cyclopentyl-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide
CID 74340536
N-(2-bicyclo[2.2.1]heptanyl)-3-(2-chlorophenyl)propanamide
CID 50946051
N-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-3-(2-chlorophenyl)propanamide
CID 95118659
N-[2-(aminomethyl)cyclohexyl]-3-(2-aminophenyl)propanamide
CID 122080752
3-(2-methoxyphenyl)-N-[(1R,2S)-2-[[3-(prop-2-enoxymethyl)piperidin-1-yl]methyl]cyclohexyl]propanamide
CID 59007423
3-(2,4-dichlorophenyl)-N-[2-(hydroxymethyl)cyclopentyl]propanamide
CID 103751500
N-[2-(aminomethyl)cyclohexyl]-3-(2-bromophenyl)propanamide;hydrochloride
CID 119611792
3-(2-aminophenyl)-N-(2-ethylcyclohexyl)propanamide;hydrochloride
CID 120609307
3-(2-chlorophenyl)-N-cyclopentyloxypropanamide
CID 83202593

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide (CID 74340181) is 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide is O=C(CCc1ccccc1Cl)NC1CCCCC1CN1CCCCC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
The InChIKey is XFFMZOVTFZQXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O/c22-19-10-4-2-8-17(19)12-13-21(25)23-20-11-5-3-9-18(20)16-24-14-6-1-7-15-24/h2,4,8,10,18,20H,1,3,5-7,9,11-16H2,(H,23,25).
What are the key properties of 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide?
3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide has a molecular weight of 362.95 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[2-(piperidin-1-ylmethyl)cyclohexyl]propanamide is sourced from PubChem (CID 74340181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).