1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone

C21H23NO2 — CID 155052755

IUPAC1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
SMILESCC(=O)[C@@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-16(23)19-14-8-9-15-22(19)21(24)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-15H2,1H3/t19-/m0/s1
InChIKeyKKYGHZIHWGAVHW-IBGZPJMESA-N
MW321.42 g/mol
LogP3.79
Rot. Bonds4

About 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone

1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone (PubChem CID 155052755) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone.

Molecular Properties

Compound Name1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
PubChem CID155052755
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone
SMILESCC(=O)[C@@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-16(23)19-14-8-9-15-22(19)21(24)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-15H2,1H3/t19-/m0/s1
InChIKeyKKYGHZIHWGAVHW-IBGZPJMESA-N
XLogP3.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone 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

(2S)-N-(3-acetamidopropyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071366
(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidine-2-carboxylic acid
CID 10060528
benzyl (2R)-2-acetylpiperidine-1-carboxylate
CID 89477385
(2S)-N-(2-benzamidoethyl)-1-(2,2-diphenylacetyl)pyrrolidine-2-carboxamide
CID 51071464
1-(3-amino-2-methyl-3-phenylpropanoyl)piperidine-2-carboxamide;hydrochloride
CID 119685223
1-[(2R)-1-acetylpiperidin-2-yl]ethanone
CID 58356057
1-(3-amino-2-phenyl-3-sulfanylidenepropanoyl)piperidine-2-carboxamide
CID 62877915
2-amino-1-(2-methylpiperidin-1-yl)-2-phenylethanone
CID 24694891
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2,2-diphenylethanone
CID 108533858
N-[2-[(2R)-1-(2,2-diphenylacetyl)piperidin-2-yl]ethyl]benzamide
CID 129455068
2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
CID 22888721
1-(3-amino-2-methyl-3-phenylpropanoyl)pyrrolidine-2-carboxylic acid
CID 80552235

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone?
The IUPAC name of 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone (CID 155052755) is 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone.
What is the SMILES notation for 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone?
The canonical SMILES for 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone is CC(=O)[C@@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone?
The InChIKey is KKYGHZIHWGAVHW-IBGZPJMESA-N. The full InChI is InChI=1S/C21H23NO2/c1-16(23)19-14-8-9-15-22(19)21(24)20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-7,10-13,19-20H,8-9,14-15H2,1H3/t19-/m0/s1.
What are the key properties of 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone?
1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone has a molecular weight of 321.42 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-acetylpiperidin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 155052755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).