3-(3-chloroanilino)piperidine-3-carboxamide

C12H16ClN3O — CID 79308455

IUPAC3-(3-chloroanilino)piperidine-3-carboxamide
SMILESNC(=O)C1(Nc2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C12H16ClN3O/c13-9-3-1-4-10(7-9)16-12(11(14)17)5-2-6-15-8-12/h1,3-4,7,15-16H,2,5-6,8H2,(H2,14,17)
InChIKeyRGHIGLDCUWRCNW-UHFFFAOYSA-N
MW253.73 g/mol
LogP1.36
Rot. Bonds3

About 3-(3-chloroanilino)piperidine-3-carboxamide

3-(3-chloroanilino)piperidine-3-carboxamide (PubChem CID 79308455) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is 3-(3-chloroanilino)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-(3-chloroanilino)piperidine-3-carboxamide
PubChem CID79308455
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name3-(3-chloroanilino)piperidine-3-carboxamide
SMILESNC(=O)C1(Nc2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C12H16ClN3O/c13-9-3-1-4-10(7-9)16-12(11(14)17)5-2-6-15-8-12/h1,3-4,7,15-16H,2,5-6,8H2,(H2,14,17)
InChIKeyRGHIGLDCUWRCNW-UHFFFAOYSA-N
XLogP1.36
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
3-anilinopiperidine-3-carboxylic acid
CID 131691987
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide
CID 79308057
1-(3-methylanilino)cyclohexane-1-carboxamide
CID 54892073
3-(3-chloroanilino)-5-methylthiolane-3-carboxamide
CID 79950716
1-(3-bromoanilino)cyclobutane-1-carboxamide
CID 61006550
methyl 3-(3-chloroanilino)-1,1-dioxothiane-3-carboxylate
CID 63921869
1-(3-chlorophenyl)-3-[[(3R)-3-hydroxypyrrolidin-3-yl]methyl]urea
CID 125169589
4-(3-chloroanilino)oxane-4-carboxylic acid
CID 60990859
methyl 1-(3-chloroanilino)-4,4-dimethylcycloheptane-1-carboxylate
CID 65085708
1-(3-chloroanilino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088679

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)piperidine-3-carboxamide?
The IUPAC name of 3-(3-chloroanilino)piperidine-3-carboxamide (CID 79308455) is 3-(3-chloroanilino)piperidine-3-carboxamide.
What is the SMILES notation for 3-(3-chloroanilino)piperidine-3-carboxamide?
The canonical SMILES for 3-(3-chloroanilino)piperidine-3-carboxamide is NC(=O)C1(Nc2cccc(Cl)c2)CCCNC1.
What is the InChIKey of 3-(3-chloroanilino)piperidine-3-carboxamide?
The InChIKey is RGHIGLDCUWRCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c13-9-3-1-4-10(7-9)16-12(11(14)17)5-2-6-15-8-12/h1,3-4,7,15-16H,2,5-6,8H2,(H2,14,17).
What are the key properties of 3-(3-chloroanilino)piperidine-3-carboxamide?
3-(3-chloroanilino)piperidine-3-carboxamide has a molecular weight of 253.73 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)piperidine-3-carboxamide is sourced from PubChem (CID 79308455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).