(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone

C24H30N2O4S — CID 78851216

IUPAC(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCOC(c3ccccc3)C2)(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O4S/c1-2-31(28,29)26-15-13-24(14-16-26,21-11-7-4-8-12-21)23(27)25-17-18-30-22(19-25)20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3
InChIKeyWQTMITUOMYKZPA-UHFFFAOYSA-N
MW442.58 g/mol
LogP2.97
Rot. Bonds5

About (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone

(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone (PubChem CID 78851216) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone
PubChem CID78851216
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC Name(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCOC(c3ccccc3)C2)(c2ccccc2)CC1
InChIInChI=1S/C24H30N2O4S/c1-2-31(28,29)26-15-13-24(14-16-26,21-11-7-4-8-12-21)23(27)25-17-18-30-22(19-25)20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3
InChIKeyWQTMITUOMYKZPA-UHFFFAOYSA-N
XLogP2.97
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone 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-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone
CID 78832224
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
1-(1-ethylsulfonyl-4-phenylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354000
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
1-adamantyl-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 25281285
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
[2-(1-aminoethyl)morpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 81483906
[(2S)-2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 124971623
[2-(1,4-dimethylimidazol-2-yl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 110105302
2-bromo-1-(2-phenylmorpholin-4-yl)butan-1-one
CID 62855050
[1-(3-chlorophenyl)cyclopropyl]-[2-(3-hydroxyphenyl)morpholin-4-yl]methanone
CID 126783216
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone?
The IUPAC name of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone (CID 78851216) is (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone?
The canonical SMILES for (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCOC(c3ccccc3)C2)(c2ccccc2)CC1.
What is the InChIKey of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone?
The InChIKey is WQTMITUOMYKZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-2-31(28,29)26-15-13-24(14-16-26,21-11-7-4-8-12-21)23(27)25-17-18-30-22(19-25)20-9-5-3-6-10-20/h3-12,22H,2,13-19H2,1H3.
What are the key properties of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone?
(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone has a molecular weight of 442.58 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone is sourced from PubChem (CID 78851216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).