[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone

C17H24N2O4S — CID 122155789

IUPAC[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24N2O4S/c20-17(16-6-2-1-3-7-16)18-8-4-5-15(13-18)14-24(21,22)19-9-11-23-12-10-19/h1-3,6-7,15H,4-5,8-14H2
InChIKeyAQCVIEGDHCKUQO-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.20
Rot. Bonds4

About [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone

[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone (PubChem CID 122155789) has the molecular formula C17H24N2O4S and a molecular weight of 352.46 g/mol. Its IUPAC name is [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
PubChem CID122155789
Molecular FormulaC17H24N2O4S
Molecular Weight352.46 g/mol
Exact Mass352.15
IUPAC Name[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(CS(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C17H24N2O4S/c20-17(16-6-2-1-3-7-16)18-8-4-5-15(13-18)14-24(21,22)19-9-11-23-12-10-19/h1-3,6-7,15H,4-5,8-14H2
InChIKeyAQCVIEGDHCKUQO-UHFFFAOYSA-N
XLogP1.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylpyrazol-4-yl)-[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 129009244
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
CID 75473929
[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-(oxan-4-yl)methanone
CID 125422110
[(1R,2R)-2-methylcyclopropyl]-[(3R)-3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]methanone
CID 125422091
[3-(benzenesulfonylmethyl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 110661896
[3-(ethoxymethyl)piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 110602769
[3-(morpholin-4-ylsulfonylmethyl)azetidin-1-yl]-thiophen-2-ylmethanone
CID 125423656
phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
1-[(3R)-1-benzoylpiperidin-3-yl]-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 125422114
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400

Frequently Asked Questions

What is the IUPAC name of [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone?
The IUPAC name of [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone (CID 122155789) is [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC(CS(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone?
The InChIKey is AQCVIEGDHCKUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4S/c20-17(16-6-2-1-3-7-16)18-8-4-5-15(13-18)14-24(21,22)19-9-11-23-12-10-19/h1-3,6-7,15H,4-5,8-14H2.
What are the key properties of [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone?
[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone has a molecular weight of 352.46 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 122155789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).