1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

C15H22N4O2 — CID 43375694

IUPAC1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cccc(N)c1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10-3-2-4-12(16)14(10)18-13(20)9-19-7-5-11(6-8-19)15(17)21/h2-4,11H,5-9,16H2,1H3,(H2,17,21)(H,18,20)
InChIKeyMTAYIBOBUILEGA-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.71
Rot. Bonds4

About 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 43375694) 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-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID43375694
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cccc(N)c1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C15H22N4O2/c1-10-3-2-4-12(16)14(10)18-13(20)9-19-7-5-11(6-8-19)15(17)21/h2-4,11H,5-9,16H2,1H3,(H2,17,21)(H,18,20)
InChIKeyMTAYIBOBUILEGA-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-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 800463
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
N-(2-amino-6-methylphenyl)-2-(3,5-dimethylpiperidin-1-yl)acetamide
CID 43375658
methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 665785
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
N-(2-amino-6-methylphenyl)-2-(4-methyl-3-oxopiperazin-1-yl)acetamide
CID 64680059
N-(2-amino-6-methylphenyl)-2-[2-(hydroxymethyl)morpholin-4-yl]acetamide
CID 81205726
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
N-(2-amino-6-methylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 43376211
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 43375694) is 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1cccc(N)c1NC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is MTAYIBOBUILEGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10-3-2-4-12(16)14(10)18-13(20)9-19-7-5-11(6-8-19)15(17)21/h2-4,11H,5-9,16H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 43375694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).