4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid

C18H24N2O4 — CID 119173154

IUPAC4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O4/c1-19(11-5-8-16(21)22)17(23)15-9-12-20(13-10-15)18(24)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,21,22)
InChIKeyXZOBNLUNVJHKQH-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.86
Rot. Bonds6

About 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid

4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid (PubChem CID 119173154) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
PubChem CID119173154
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Name4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H24N2O4/c1-19(11-5-8-16(21)22)17(23)15-9-12-20(13-10-15)18(24)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,21,22)
InChIKeyXZOBNLUNVJHKQH-UHFFFAOYSA-N
XLogP1.86
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-methylpentyl)-1-benzoyl-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119659992
1-(1-benzoylpiperidin-4-yl)-3-(dimethylamino)propan-1-one
CID 59178266
1-benzoyl-N-[2-(4-methoxyphenyl)ethyl]-N-methylpiperidine-4-carboxamide
CID 110307099
1-benzoyl-N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
CID 136528098
N-butyl-1-[4-(cyclopropanecarbonylamino)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55836292
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
4-[(3-benzoyl-1,3-thiazolidine-4-carbonyl)-methylamino]butanoic acid
CID 119172932
6-[4-[butyl(methyl)carbamoyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 119181833
N-butyl-1-[4-(difluoromethylsulfonyl)benzoyl]-N-methylpiperidine-4-carboxamide
CID 55950780
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid (CID 119173154) is 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid?
The InChIKey is XZOBNLUNVJHKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-19(11-5-8-16(21)22)17(23)15-9-12-20(13-10-15)18(24)14-6-3-2-4-7-14/h2-4,6-7,15H,5,8-13H2,1H3,(H,21,22).
What are the key properties of 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid?
4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid has a molecular weight of 332.40 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzoylpiperidine-4-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 119173154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).