N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide

C21H29ClN2O2 — CID 108549997

IUPACN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C21H29ClN2O2/c22-18-9-6-16(7-10-18)8-11-20(25)24-14-12-19(13-15-24)23-21(26)17-4-2-1-3-5-17/h6-7,9-10,17,19H,1-5,8,11-15H2,(H,23,26)
InChIKeyKTABLGNHQUTROW-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.96
Rot. Bonds5

About N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide

N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 108549997) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
PubChem CID108549997
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide
SMILESO=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C21H29ClN2O2/c22-18-9-6-16(7-10-18)8-11-20(25)24-14-12-19(13-15-24)23-21(26)17-4-2-1-3-5-17/h6-7,9-10,17,19H,1-5,8,11-15H2,(H,23,26)
InChIKeyKTABLGNHQUTROW-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

N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]cyclobutanecarboxamide
CID 110821946
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
3-(4-chlorophenyl)-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]propanamide
CID 108556562
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46485063
N-[1-[3-(2-fluorophenyl)propanoyl]piperidin-4-yl]cyclopentanecarboxamide
CID 110822698
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
1-[3-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 45341294
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
3-(4-chlorophenyl)-1-[4-[3-(4-chlorophenyl)propanoyl]piperazin-1-yl]propan-1-one
CID 108536940
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-[1-(3-thiophen-2-ylpropanoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110822076

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide (CID 108549997) is N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide is O=C(NC1CCN(C(=O)CCc2ccc(Cl)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is KTABLGNHQUTROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-18-9-6-16(7-10-18)8-11-20(25)24-14-12-19(13-15-24)23-21(26)17-4-2-1-3-5-17/h6-7,9-10,17,19H,1-5,8,11-15H2,(H,23,26).
What are the key properties of N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide?
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide 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 N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 108549997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).