1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone

C19H29NO4S — CID 57243880

IUPAC1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone
SMILESCC(C)OC(C(=O)N1CCCC(CCS(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C19H29NO4S/c1-15(2)24-18(17-9-5-4-6-10-17)19(21)20-12-7-8-16(14-20)11-13-25(3,22)23/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3
InChIKeyFMGXTKHJZIDSSC-UHFFFAOYSA-N
MW367.51 g/mol
LogP2.83
Rot. Bonds7

About 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone

1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone (PubChem CID 57243880) has the molecular formula C19H29NO4S and a molecular weight of 367.51 g/mol. Its IUPAC name is 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone
PubChem CID57243880
Molecular FormulaC19H29NO4S
Molecular Weight367.51 g/mol
Exact Mass367.18
IUPAC Name1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone
SMILESCC(C)OC(C(=O)N1CCCC(CCS(C)(=O)=O)C1)c1ccccc1
InChIInChI=1S/C19H29NO4S/c1-15(2)24-18(17-9-5-4-6-10-17)19(21)20-12-7-8-16(14-20)11-13-25(3,22)23/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3
InChIKeyFMGXTKHJZIDSSC-UHFFFAOYSA-N
XLogP2.83
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.51
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Butyl-2-phenylmorpholin-3-one
CID 3056627
3-Morpholinone, 4-isopropyl-2-phenyl-
CID 3056628
2-methoxy-N-(1-methylsulfonylpiperidin-4-yl)-2-phenylacetamide
CID 45826621
1-[2-(4-Fluorophenyl)morpholin-4-yl]-2-methylsulfonylpropan-1-one
CID 45826682
3-methyl-1-(2-phenylmethoxyacetyl)-N-propylsulfonylpiperidine-3-carboxamide
CID 46942459
4-[1-[(1R,5R)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]oxy-2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]benzenesulfonyl fluoride
CID 177256782
4-[2-(4-Fluorophenyl)morpholin-4-yl]-4-oxobutane-1-sulfonamide
CID 56865455
(2R)-2-methoxy-1-(1-oxo-1,4-thiazinan-4-yl)-2-phenylethanone
CID 98864695
(2R)-N-(1,1-dioxothian-4-yl)-2-ethoxy-2-phenylacetamide
CID 124627342
(3-methoxy-1,1-dioxothietan-3-yl)-[(2R)-2-(2-methylphenyl)morpholin-4-yl]methanone
CID 171353886
(2R)-1-[(2R,3S)-2,3-dimethylmorpholin-4-yl]-2-methoxy-2-phenyl-ethanone
CID 118541592
(2S)-2-methoxy-1-[(3S)-3-methylmorpholin-4-yl]-2-phenyl-ethanone
CID 118541641

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone?
The IUPAC name of 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone (CID 57243880) is 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone is CC(C)OC(C(=O)N1CCCC(CCS(C)(=O)=O)C1)c1ccccc1.
What is the InChIKey of 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone?
The InChIKey is FMGXTKHJZIDSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO4S/c1-15(2)24-18(17-9-5-4-6-10-17)19(21)20-12-7-8-16(14-20)11-13-25(3,22)23/h4-6,9-10,15-16,18H,7-8,11-14H2,1-3H3.
What are the key properties of 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone?
1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone has a molecular weight of 367.51 g/mol, XLogP of 2.83, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylsulfonylethyl)piperidin-1-yl]-2-phenyl-2-propan-2-yloxyethanone is sourced from PubChem (CID 57243880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).