4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide

C16H21ClN4O3 — CID 55646263

IUPAC4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN4O3/c1-20(2)16(24)21-9-7-12(8-10-21)15(23)19-18-14(22)11-3-5-13(17)6-4-11/h3-6,12H,7-10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyPCAHPQUIUQHFTC-UHFFFAOYSA-N
MW352.82 g/mol
LogP1.49
Rot. Bonds2

About 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide

4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 55646263) has the molecular formula C16H21ClN4O3 and a molecular weight of 352.82 g/mol. Its IUPAC name is 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID55646263
Molecular FormulaC16H21ClN4O3
Molecular Weight352.82 g/mol
Exact Mass352.13
IUPAC Name4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H21ClN4O3/c1-20(2)16(24)21-9-7-12(8-10-21)15(23)19-18-14(22)11-3-5-13(17)6-4-11/h3-6,12H,7-10H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyPCAHPQUIUQHFTC-UHFFFAOYSA-N
XLogP1.49
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.82
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide 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'-(cyclobutanecarbonyl)benzohydrazide
CID 2666799
N'-(4-chlorobenzoyl)-1-(4,6-dimethylpyrimidin-2-yl)piperidine-4-carbohydrazide
CID 3223274
1-(4-chlorophenyl)sulfonyl-N'-(4-piperidin-1-ylsulfonylbenzoyl)piperidine-4-carbohydrazide
CID 3192879
4-N-[(2R)-2-benzamidocyclohexyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 46103923
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-[2-[(4-chlorobenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349897
N'-benzoyl-1-(4-chlorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 1472653
N'-(cyclohexanecarbonyl)-4-propan-2-ylbenzohydrazide
CID 17177548
1-(4-chlorobenzoyl)-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 1326341
4-N-(2-aminophenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide;hydrochloride
CID 119422188
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide (CID 55646263) is 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(C(=O)NNC(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is PCAHPQUIUQHFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O3/c1-20(2)16(24)21-9-7-12(8-10-21)15(23)19-18-14(22)11-3-5-13(17)6-4-11/h3-6,12H,7-10H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide?
4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 352.82 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-chlorobenzoyl)amino]carbamoyl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 55646263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).