1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid

C16H19ClN2O4 — CID 119349897

IUPAC1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H19ClN2O4/c1-10(18-14(20)11-2-4-13(17)5-3-11)15(21)19-8-6-12(7-9-19)16(22)23/h2-5,10,12H,6-9H2,1H3,(H,18,20)(H,22,23)
InChIKeyZMROONDQGCLTQA-UHFFFAOYSA-N
MW338.79 g/mol
LogP1.78
Rot. Bonds4

About 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid

1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid (PubChem CID 119349897) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
PubChem CID119349897
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Name1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C16H19ClN2O4/c1-10(18-14(20)11-2-4-13(17)5-3-11)15(21)19-8-6-12(7-9-19)16(22)23/h2-5,10,12H,6-9H2,1H3,(H,18,20)(H,22,23)
InChIKeyZMROONDQGCLTQA-UHFFFAOYSA-N
XLogP1.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-N-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]benzamide
CID 112760576
4-chloro-N-[1-[4-(ethylaminomethyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 119647961
1-[2-[(4-chlorobenzoyl)amino]propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122114461
4-chloro-N-[1-oxo-1-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]propan-2-yl]benzamide
CID 136515348
4-chloro-N-[(2S)-1-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 25482263
1-[2-(4-chlorophenyl)propanoyl]piperidine-4-carboxylic acid
CID 154842275
4-chloro-N-[1-[3-(methylamino)piperidin-1-yl]-1-oxopropan-2-yl]benzamide;hydrochloride
CID 119493230
4-chloro-N-[1-[4-(2-methylpropyl)piperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 112765552
4-chloro-N-[1-(3-methylpiperazin-1-yl)-1-oxopropan-2-yl]benzamide
CID 119580374
N-[(2S)-1-(4-benzoylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-4-chlorobenzamide
CID 25496758
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]-4-chlorobenzamide;hydrochloride
CID 119664374
N-[(2R)-1-[4-[(4-chlorophenyl)sulfonylamino]piperidin-1-yl]-1-oxopropan-2-yl]benzamide
CID 94091187

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid (CID 119349897) is 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid is CC(NC(=O)c1ccc(Cl)cc1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is ZMROONDQGCLTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-10(18-14(20)11-2-4-13(17)5-3-11)15(21)19-8-6-12(7-9-19)16(22)23/h2-5,10,12H,6-9H2,1H3,(H,18,20)(H,22,23).
What are the key properties of 1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid?
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 338.79 g/mol, XLogP of 1.78, 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]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).