(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone

C20H30N2O3S — CID 109065552

IUPAC(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCCC1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H30N2O3S/c1-3-18-10-4-5-13-22(18)20(23)17-9-6-11-19(14-17)26(24,25)21-12-7-8-16(2)15-21/h6,9,11,14,16,18H,3-5,7-8,10,12-13,15H2,1-2H3
InChIKeyPLNYTQRCBMLGLI-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.51
Rot. Bonds4

About (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone

(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone (PubChem CID 109065552) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
PubChem CID109065552
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC Name(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone
SMILESCCC1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C20H30N2O3S/c1-3-18-10-4-5-13-22(18)20(23)17-9-6-11-19(14-17)26(24,25)21-12-7-8-16(2)15-21/h6,9,11,14,16,18H,3-5,7-8,10,12-13,15H2,1-2H3
InChIKeyPLNYTQRCBMLGLI-UHFFFAOYSA-N
XLogP3.51
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-ethylpyrrolidin-1-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110614017
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-(3-methylpiperidin-1-yl)methanone
CID 109065536
3-(2-ethylpyrrolidine-1-carbonyl)benzenesulfonamide
CID 54885699
[2-(aminomethyl)piperidin-1-yl]-[3-(azepan-1-ylsulfonyl)phenyl]methanone
CID 119467046
[(2S)-2-methylpiperidin-1-yl]-(3-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 8502448
N-butan-2-yl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109063050
[3-(2-ethylpiperidin-1-yl)sulfonylphenyl]-pyrrolidin-1-ylmethanone
CID 47952525
N-cycloheptyl-3-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 109065250
N-[[1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 43073491
1-[4-[3-(3-methylpiperidine-1-carbonyl)phenyl]sulfonylpiperazin-1-yl]ethanone
CID 18280417
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
(3-chlorophenyl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1206104

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone (CID 109065552) is (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone is CCC1CCCCN1C(=O)c1cccc(S(=O)(=O)N2CCCC(C)C2)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
The InChIKey is PLNYTQRCBMLGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-3-18-10-4-5-13-22(18)20(23)17-9-6-11-19(14-17)26(24,25)21-12-7-8-16(2)15-21/h6,9,11,14,16,18H,3-5,7-8,10,12-13,15H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone?
(2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone has a molecular weight of 378.54 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[3-(3-methylpiperidin-1-yl)sulfonylphenyl]methanone is sourced from PubChem (CID 109065552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).