1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid

C17H21ClN2O4 — CID 122114461

IUPAC1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C17H21ClN2O4/c1-10-3-4-13(17(23)24)9-20(10)16(22)11(2)19-15(21)12-5-7-14(18)8-6-12/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,19,21)(H,23,24)
InChIKeySFIHJLKUBFMZHT-UHFFFAOYSA-N
MW352.82 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid

1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122114461) has the molecular formula C17H21ClN2O4 and a molecular weight of 352.82 g/mol. Its IUPAC name is 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122114461
Molecular FormulaC17H21ClN2O4
Molecular Weight352.82 g/mol
Exact Mass352.12
IUPAC Name1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C17H21ClN2O4/c1-10-3-4-13(17(23)24)9-20(10)16(22)11(2)19-15(21)12-5-7-14(18)8-6-12/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,19,21)(H,23,24)
InChIKeySFIHJLKUBFMZHT-UHFFFAOYSA-N
XLogP2.17
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
1-[2-(furan-2-carbonylamino)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122083894
N-[1-[2-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119437390
(3S)-1-[2-[(4-chlorobenzoyl)amino]-3-methylbutanoyl]piperidine-3-carboxylic acid
CID 119173939
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119634260
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 136515348
6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
CID 119580374
1-[2-(2,6-difluorophenyl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122112934
4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
4-chloro-N-propan-2-ylbenzamide
CID 24045

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid (CID 122114461) is 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid is CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is SFIHJLKUBFMZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O4/c1-10-3-4-13(17(23)24)9-20(10)16(22)11(2)19-15(21)12-5-7-14(18)8-6-12/h5-8,10-11,13H,3-4,9H2,1-2H3,(H,19,21)(H,23,24).
What are the key properties of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid?
1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 352.82 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122114461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).