3-(2-methylanilino)piperidine-3-carboxamide

C13H19N3O — CID 79308355

IUPAC3-(2-methylanilino)piperidine-3-carboxamide
SMILESCc1ccccc1NC1(C(N)=O)CCCNC1
InChIInChI=1S/C13H19N3O/c1-10-5-2-3-6-11(10)16-13(12(14)17)7-4-8-15-9-13/h2-3,5-6,15-16H,4,7-9H2,1H3,(H2,14,17)
InChIKeyYWQRTYPRACYZAY-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.01
Rot. Bonds3

About 3-(2-methylanilino)piperidine-3-carboxamide

3-(2-methylanilino)piperidine-3-carboxamide (PubChem CID 79308355) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-methylanilino)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-(2-methylanilino)piperidine-3-carboxamide
PubChem CID79308355
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2-methylanilino)piperidine-3-carboxamide
SMILESCc1ccccc1NC1(C(N)=O)CCCNC1
InChIInChI=1S/C13H19N3O/c1-10-5-2-3-6-11(10)16-13(12(14)17)7-4-8-15-9-13/h2-3,5-6,15-16H,4,7-9H2,1H3,(H2,14,17)
InChIKeyYWQRTYPRACYZAY-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 80705798
3-(3-fluoro-5-methylanilino)piperidine-3-carboxamide
CID 79308057
3-(3-chloroanilino)piperidine-3-carboxamide
CID 79308455
3-(3-bromoanilino)piperidine-3-carboxamide
CID 79307348
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
8-(2-methylanilino)spiro[4.5]decane-8-carboxylic acid
CID 114818360
3-anilinopiperidine-3-carboxylic acid
CID 131691987
1-(2-chloroanilino)cycloheptane-1-carboxamide
CID 54892250
1-(2-chloroanilino)cyclooctane-1-carboxamide
CID 54892443
2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 79856688
4,4-dimethyl-1-(2-methylanilino)cycloheptane-1-carboxylic acid
CID 65085552

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylanilino)piperidine-3-carboxamide?
The IUPAC name of 3-(2-methylanilino)piperidine-3-carboxamide (CID 79308355) is 3-(2-methylanilino)piperidine-3-carboxamide.
What is the SMILES notation for 3-(2-methylanilino)piperidine-3-carboxamide?
The canonical SMILES for 3-(2-methylanilino)piperidine-3-carboxamide is Cc1ccccc1NC1(C(N)=O)CCCNC1.
What is the InChIKey of 3-(2-methylanilino)piperidine-3-carboxamide?
The InChIKey is YWQRTYPRACYZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-10-5-2-3-6-11(10)16-13(12(14)17)7-4-8-15-9-13/h2-3,5-6,15-16H,4,7-9H2,1H3,(H2,14,17).
What are the key properties of 3-(2-methylanilino)piperidine-3-carboxamide?
3-(2-methylanilino)piperidine-3-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylanilino)piperidine-3-carboxamide is sourced from PubChem (CID 79308355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).