2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone

C17H24N2O2 — CID 95152526

IUPAC2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)c1ccc(NCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C17H24N2O2/c1-12-5-4-6-13(2)19(12)17(21)11-18-16-9-7-15(8-10-16)14(3)20/h7-10,12-13,18H,4-6,11H2,1-3H3/t12-,13+
InChIKeyMEHJAFADTYALDM-BETUJISGSA-N
MW288.39 g/mol
LogP3.09
Rot. Bonds4

About 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone

2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (PubChem CID 95152526) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
PubChem CID95152526
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone
SMILESCC(=O)c1ccc(NCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1
InChIInChI=1S/C17H24N2O2/c1-12-5-4-6-13(2)19(12)17(21)11-18-16-9-7-15(8-10-16)14(3)20/h7-10,12-13,18H,4-6,11H2,1-3H3/t12-,13+
InChIKeyMEHJAFADTYALDM-BETUJISGSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-[4-(tetrazol-1-yl)anilino]ethanone
CID 94816194
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
N-[2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4-methylphenyl]acetamide
CID 95255682
N-[2-[[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]amino]-4,5-difluorophenyl]acetamide
CID 95275158
4-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-3-methylbenzamide
CID 167851880
1-[4-[(2-methylcyclopentyl)methylamino]phenyl]ethanone
CID 107419214
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 4-acetamidobenzoate
CID 42900565
1-[4-(2-cyclobutylethylamino)phenyl]ethanone
CID 114468462
N-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 110757185
2-(4-acetylanilino)-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
CID 71140798
N-[5-[[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl]amino]-2,4-difluorophenyl]acetamide
CID 71936733
1-(4-acetylphenyl)-3-(2,6-dimethylpiperidin-1-yl)thiourea
CID 4178428

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The IUPAC name of 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone (CID 95152526) is 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is CC(=O)c1ccc(NCC(=O)N2[C@H](C)CCC[C@@H]2C)cc1.
What is the InChIKey of 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
The InChIKey is MEHJAFADTYALDM-BETUJISGSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-5-4-6-13(2)19(12)17(21)11-18-16-9-7-15(8-10-16)14(3)20/h7-10,12-13,18H,4-6,11H2,1-3H3/t12-,13+.
What are the key properties of 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone?
2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone has a molecular weight of 288.39 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylanilino)-1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95152526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).