1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide

C16H23N3O2 — CID 78821595

IUPAC1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(C)c(NCC(=O)N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C16H23N3O2/c1-11-5-6-12(2)14(8-11)18-9-15(20)19-7-3-4-13(10-19)16(17)21/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H2,17,21)
InChIKeyWYLLKLLSGZDNIM-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.44
Rot. Bonds4

About 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide

1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide (PubChem CID 78821595) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
PubChem CID78821595
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
SMILESCc1ccc(C)c(NCC(=O)N2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C16H23N3O2/c1-11-5-6-12(2)14(8-11)18-9-15(20)19-7-3-4-13(10-19)16(17)21/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H2,17,21)
InChIKeyWYLLKLLSGZDNIM-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-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide
CID 78821494
ethyl 1-[2-(2,5-dimethylanilino)acetyl]piperidine-4-carboxylate
CID 54812742
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
(3S)-N-(2,5-dimethylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 51937253
2-(5-bromo-2-methylanilino)-1-pyrrolidin-1-ylethanone
CID 43806024
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
(3R)-1-(2-chloroacetyl)piperidine-3-carboxamide
CID 9115268
(3S)-1-[2-(5-fluoro-2-methylphenoxy)acetyl]piperidine-3-carboxamide
CID 99828110
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
CID 71858061
1-(2-hydroxy-4-methylbenzoyl)piperidine-3-carboxamide
CID 43176610
(3S)-1-[2-(2,5-dimethylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 81120220

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide (CID 78821595) is 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide is Cc1ccc(C)c(NCC(=O)N2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide?
The InChIKey is WYLLKLLSGZDNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11-5-6-12(2)14(8-11)18-9-15(20)19-7-3-4-13(10-19)16(17)21/h5-6,8,13,18H,3-4,7,9-10H2,1-2H3,(H2,17,21).
What are the key properties of 1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide?
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-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-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 78821595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).