4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide

C13H17ClN4O2 — CID 43784539

IUPAC4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
SMILESNC(=O)c1cc(NC2CCN(C(N)=O)CC2)ccc1Cl
InChIInChI=1S/C13H17ClN4O2/c14-11-2-1-9(7-10(11)12(15)19)17-8-3-5-18(6-4-8)13(16)20/h1-2,7-8,17H,3-6H2,(H2,15,19)(H2,16,20)
InChIKeyDMDOHCCXBZKJOB-UHFFFAOYSA-N
MW296.76 g/mol
LogP1.39
Rot. Bonds3

About 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide

4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide (PubChem CID 43784539) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
PubChem CID43784539
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide
SMILESNC(=O)c1cc(NC2CCN(C(N)=O)CC2)ccc1Cl
InChIInChI=1S/C13H17ClN4O2/c14-11-2-1-9(7-10(11)12(15)19)17-8-3-5-18(6-4-8)13(16)20/h1-2,7-8,17H,3-6H2,(H2,15,19)(H2,16,20)
InChIKeyDMDOHCCXBZKJOB-UHFFFAOYSA-N
XLogP1.39
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-4-methoxyanilino)piperidine-1-carboxamide
CID 43758136
4-(3-hydroxy-4-methylanilino)piperidine-1-carboxamide
CID 107700221
2-chloro-5-[(3,5-dimethylcyclohexyl)amino]benzamide
CID 64751160
4-(5-bromo-2-chloroanilino)piperidine-1-carboxamide
CID 62913744
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
2-chloro-4-[(1-propylpiperidin-4-yl)amino]benzamide
CID 43736426
4-(3,5-difluoroanilino)piperidine-1-carboxamide
CID 43765044
2-chloro-5-(cyclohexylamino)benzoic acid
CID 43736277
2-chloro-4-[[4-(methylamino)cyclohexyl]amino]benzamide
CID 79111094
2-chloro-5-[(1-ethylpiperidin-4-yl)amino]benzoic acid
CID 43736226
4-[4-(methanesulfonamido)anilino]piperidine-1-carboxamide
CID 43787048
4-(3-methylsulfanylanilino)piperidine-1-carboxamide
CID 43757325

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide (CID 43784539) is 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide is NC(=O)c1cc(NC2CCN(C(N)=O)CC2)ccc1Cl.
What is the InChIKey of 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide?
The InChIKey is DMDOHCCXBZKJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c14-11-2-1-9(7-10(11)12(15)19)17-8-3-5-18(6-4-8)13(16)20/h1-2,7-8,17H,3-6H2,(H2,15,19)(H2,16,20).
What are the key properties of 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide?
4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide has a molecular weight of 296.76 g/mol, XLogP of 1.39, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoyl-4-chloroanilino)piperidine-1-carboxamide is sourced from PubChem (CID 43784539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).