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

C19H28N2O4S — CID 78832224

IUPAC(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCOC(C)C2)(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-3-26(23,24)21-11-9-19(10-12-21,17-7-5-4-6-8-17)18(22)20-13-14-25-16(2)15-20/h4-8,16H,3,9-15H2,1-2H3
InChIKeyUXXMQTFHBNXMGV-UHFFFAOYSA-N
MW380.51 g/mol
LogP1.62
Rot. Bonds4

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

(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone (PubChem CID 78832224) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone
PubChem CID78832224
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC Name(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone
SMILESCCS(=O)(=O)N1CCC(C(=O)N2CCOC(C)C2)(c2ccccc2)CC1
InChIInChI=1S/C19H28N2O4S/c1-3-26(23,24)21-11-9-19(10-12-21,17-7-5-4-6-8-17)18(22)20-13-14-25-16(2)15-20/h4-8,16H,3,9-15H2,1-2H3
InChIKeyUXXMQTFHBNXMGV-UHFFFAOYSA-N
XLogP1.62
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-phenylmorpholin-4-yl)methanone
CID 78851216
1-(1-ethylsulfonyl-4-phenylpiperidine-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119354000
[1-(2-fluorophenyl)cyclopropyl]-(2-methylmorpholin-4-yl)methanone
CID 110631401
[2-(hydroxymethyl)morpholin-4-yl]-(1-phenylcyclopentyl)methanone
CID 81196589
N-cyclopentyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78816047
[2-(1-aminoethyl)morpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 81483906
[(2S)-2-methylmorpholin-4-yl]-[4-(2-methylphenyl)oxan-4-yl]methanone
CID 94676078
N-butyl-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 78815994
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(1-phenylcyclopropyl)methanone
CID 102937638
N-(2-amino-2-ethylbutyl)-1-ethylsulfonyl-4-phenylpiperidine-4-carboxamide
CID 119643803
1-ethylsulfonyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-phenylpiperidine-4-carboxamide
CID 78837890
1-ethylsulfonyl-N-(2-methylpiperidin-4-yl)-4-phenylpiperidine-4-carboxamide
CID 120600237

Frequently Asked Questions

What is the IUPAC name of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone?
The IUPAC name of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone (CID 78832224) is (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone?
The canonical SMILES for (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone is CCS(=O)(=O)N1CCC(C(=O)N2CCOC(C)C2)(c2ccccc2)CC1.
What is the InChIKey of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone?
The InChIKey is UXXMQTFHBNXMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c1-3-26(23,24)21-11-9-19(10-12-21,17-7-5-4-6-8-17)18(22)20-13-14-25-16(2)15-20/h4-8,16H,3,9-15H2,1-2H3.
What are the key properties of (1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone?
(1-ethylsulfonyl-4-phenylpiperidin-4-yl)-(2-methylmorpholin-4-yl)methanone has a molecular weight of 380.51 g/mol, XLogP of 1.62, 4 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-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 78832224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).