N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide

C21H31ClN2O2 — CID 17119241

IUPACN,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H31ClN2O2/c1-3-5-13-23(14-6-4-2)21(26)18-11-15-24(16-12-18)20(25)17-7-9-19(22)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3
InChIKeyXLKFAGSFBCWMPE-UHFFFAOYSA-N
MW378.94 g/mol
LogP4.62
Rot. Bonds8

About N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide

N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 17119241) has the molecular formula C21H31ClN2O2 and a molecular weight of 378.94 g/mol. Its IUPAC name is N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID17119241
Molecular FormulaC21H31ClN2O2
Molecular Weight378.94 g/mol
Exact Mass378.21
IUPAC NameN,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESCCCCN(CCCC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C21H31ClN2O2/c1-3-5-13-23(14-6-4-2)21(26)18-11-15-24(16-12-18)20(25)17-7-9-19(22)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3
InChIKeyXLKFAGSFBCWMPE-UHFFFAOYSA-N
XLogP4.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.94
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
CID 17119178
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
1-(4-methoxybenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005887
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
1-(3-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005883
N-butyl-1-[2-[4-(4-chlorobenzoyl)phenoxy]acetyl]-N-methylpiperidine-4-carboxamide
CID 55950662
N,N-dipropyl-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113005906
N-butyl-1-(4-chlorophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 55661720
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46823952

Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide (CID 17119241) is N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide is CCCCN(CCCC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is XLKFAGSFBCWMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31ClN2O2/c1-3-5-13-23(14-6-4-2)21(26)18-11-15-24(16-12-18)20(25)17-7-9-19(22)10-8-17/h7-10,18H,3-6,11-16H2,1-2H3.
What are the key properties of N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 378.94 g/mol, XLogP of 4.62, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17119241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).