N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide

C21H29ClN2O2 — CID 22322231

IUPACN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C21H29ClN2O2/c22-19-8-6-16(7-9-19)20(25)17-10-13-24(14-11-17)15-12-23-21(26)18-4-2-1-3-5-18/h6-9,17-18H,1-5,10-15H2,(H,23,26)
InChIKeyAZAIECPMCVIVON-UHFFFAOYSA-N
MW376.93 g/mol
LogP3.93
Rot. Bonds6

About N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide

N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide (PubChem CID 22322231) has the molecular formula C21H29ClN2O2 and a molecular weight of 376.93 g/mol. Its IUPAC name is N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
PubChem CID22322231
Molecular FormulaC21H29ClN2O2
Molecular Weight376.93 g/mol
Exact Mass376.19
IUPAC NameN-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide
SMILESO=C(NCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1
InChIInChI=1S/C21H29ClN2O2/c22-19-8-6-16(7-9-19)20(25)17-10-13-24(14-11-17)15-12-23-21(26)18-4-2-1-3-5-18/h6-9,17-18H,1-5,10-15H2,(H,23,26)
InChIKeyAZAIECPMCVIVON-UHFFFAOYSA-N
XLogP3.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.93
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 22322270
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-4-nitrobenzamide
CID 22322246
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]-3-methoxybenzamide
CID 22322400
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrrolidin-1-ylethyl)piperidine-4-carboxamide
CID 53008811
4-chloro-N-(2-piperidin-1-ylethylcarbamothioyl)benzamide
CID 21450387
N-[2-[4-[3-[(4-chlorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]ethyl]cyclohexanecarboxamide
CID 3398418
1-[(4-chlorophenyl)methyl]-N-(2-cyclohexylsulfanylethyl)piperidine-4-carboxamide
CID 45015794
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-[2-(azepan-1-yl)ethyl]-1-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidine-4-carboxamide
CID 20859822
(4-chlorophenyl)-[1-[2-[(4-nitrophenyl)methylamino]ethyl]piperidin-4-yl]methanone
CID 22322316
N-[2-[6-(4-chlorophenyl)-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]cyclopentanecarboxamide
CID 19963661
(4-chlorophenyl)-[1-(2-methylpropyl)piperidin-4-yl]methanone
CID 57128692

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide (CID 22322231) is N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide is O=C(NCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1)C1CCCCC1.
What is the InChIKey of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide?
The InChIKey is AZAIECPMCVIVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29ClN2O2/c22-19-8-6-16(7-9-19)20(25)17-10-13-24(14-11-17)15-12-23-21(26)18-4-2-1-3-5-18/h6-9,17-18H,1-5,10-15H2,(H,23,26).
What are the key properties of N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide?
N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide has a molecular weight of 376.93 g/mol, XLogP of 3.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-chlorobenzoyl)piperidin-1-yl]ethyl]cyclohexanecarboxamide is sourced from PubChem (CID 22322231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).