N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide

C22H31N3O3 — CID 55836292

IUPACN-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C22H31N3O3/c1-3-4-13-24(2)21(27)18-11-14-25(15-12-18)22(28)17-7-9-19(10-8-17)23-20(26)16-5-6-16/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,23,26)
InChIKeyHGPVZDOQCHYPBT-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.15
Rot. Bonds7

About N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide

N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide (PubChem CID 55836292) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
PubChem CID55836292
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
SMILESCCCCN(C)C(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1
InChIInChI=1S/C22H31N3O3/c1-3-4-13-24(2)21(27)18-11-14-25(15-12-18)22(28)17-7-9-19(10-8-17)23-20(26)16-5-6-16/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,23,26)
InChIKeyHGPVZDOQCHYPBT-UHFFFAOYSA-N
XLogP3.15
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-bromophenyl)-4-N-butyl-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149942
4-N-butyl-1-N-(4-chlorophenyl)-4-N-methylcyclohexane-1,4-dicarboxamide
CID 109149934
1-[4-(cyclopropanecarbonylamino)benzoyl]-N-ethylpiperidine-4-carboxamide
CID 32994989
4-N-butyl-4-N-methyl-1-N-(4-propan-2-yloxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109149950
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
CID 119173154
N-(4-ethylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006644
N-methyl-1-[4-(propanoylamino)benzoyl]piperidine-4-carboxamide
CID 20973011
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
1-(4-tert-butylbenzoyl)-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 113006650
N-(4-acetylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113007858

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide (CID 55836292) is N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide is CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(NC(=O)C3CC3)cc2)CC1.
What is the InChIKey of N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is HGPVZDOQCHYPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-3-4-13-24(2)21(27)18-11-14-25(15-12-18)22(28)17-7-9-19(10-8-17)23-20(26)16-5-6-16/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,23,26).
What are the key properties of N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide?
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 385.51 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 55836292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).