1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide

C15H22N4O2 — CID 43375565

IUPAC1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1cccc(N)c1NC(=O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C15H22N4O2/c1-10-4-2-6-12(16)14(10)18-13(20)9-19-7-3-5-11(8-19)15(17)21/h2,4,6,11H,3,5,7-9,16H2,1H3,(H2,17,21)(H,18,20)
InChIKeyYGZBDAZOAXCUJX-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.71
Rot. Bonds4

About 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide

1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide (PubChem CID 43375565) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
PubChem CID43375565
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
SMILESCc1cccc(N)c1NC(=O)CN1CCCC(C(N)=O)C1
InChIInChI=1S/C15H22N4O2/c1-10-4-2-6-12(16)14(10)18-13(20)9-19-7-3-5-11(8-19)15(17)21/h2,4,6,11H,3,5,7-9,16H2,1H3,(H2,17,21)(H,18,20)
InChIKeyYGZBDAZOAXCUJX-UHFFFAOYSA-N
XLogP0.71
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
propan-2-yl 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-3-carboxylate
CID 155100176
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
(3R)-1-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9306042
(3S)-1-[2-(3-bromo-4-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305089
(3R)-1-[2-oxo-2-(4-phenylanilino)ethyl]piperidine-3-carboxamide
CID 9306022
(3S)-1-[2-(2-fluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305796
(3S)-1-[2-oxo-2-(2-propan-2-ylanilino)ethyl]piperidine-3-carboxamide
CID 9305645
(3S)-1-[2-(4-iodoanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305538

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide (CID 43375565) is 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide is Cc1cccc(N)c1NC(=O)CN1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
The InChIKey is YGZBDAZOAXCUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-4-2-6-12(16)14(10)18-13(20)9-19-7-3-5-11(8-19)15(17)21/h2,4,6,11H,3,5,7-9,16H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide?
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide is sourced from PubChem (CID 43375565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).