1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

C16H23N3O2 — CID 800463

IUPAC1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H23N3O2/c1-11-4-3-5-12(2)15(11)18-14(20)10-19-8-6-13(7-9-19)16(17)21/h3-5,13H,6-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyBCLHJCJSNPETKF-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 800463) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID800463
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)CN1CCC(C(N)=O)CC1
InChIInChI=1S/C16H23N3O2/c1-11-4-3-5-12(2)15(11)18-14(20)10-19-8-6-13(7-9-19)16(17)21/h3-5,13H,6-10H2,1-2H3,(H2,17,21)(H,18,20)
InChIKeyBCLHJCJSNPETKF-UHFFFAOYSA-N
XLogP1.44
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 43375694
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(2,6-dimethylphenyl)acetamide;hydrochloride
CID 119920937
methyl 3-[[2-(4-carbamoylpiperidin-1-yl)acetyl]amino]-1,4-dimethylindole-2-carboxylate
CID 665785
1-[2-(2-amino-6-methylanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 43375565
N-(2,6-dimethylphenyl)-2-[4-(methanesulfonamido)piperidin-1-yl]acetamide
CID 86914366
N-(2-amino-6-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 43375431
N-(2,6-dimethylphenyl)-2-[4-[2-(4-methylpiperidin-1-yl)acetyl]piperazin-1-yl]acetamide
CID 8557874
2-[4-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl]piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8917657
1-[2-(4-bromo-3-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530988
1-[2-oxo-2-(pyridin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 2917692
1-[2-(3-bromoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8530969
N-(2,6-dimethylphenyl)-2-[4-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 51632067

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 800463) is 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is Cc1cccc(C)c1NC(=O)CN1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is BCLHJCJSNPETKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-4-3-5-12(2)15(11)18-14(20)10-19-8-6-13(7-9-19)16(17)21/h3-5,13H,6-10H2,1-2H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 800463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).