(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone

C16H22N2O4S — CID 75473929

IUPAC(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N2O4S/c19-16(14-5-2-1-3-6-14)17-8-4-7-15(13-17)23(20,21)18-9-11-22-12-10-18/h1-3,5-6,15H,4,7-13H2
InChIKeyJHJVYTQSMZSSOA-UHFFFAOYSA-N
MW338.43 g/mol
LogP0.95
Rot. Bonds3

About (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone

(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone (PubChem CID 75473929) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
PubChem CID75473929
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C16H22N2O4S/c19-16(14-5-2-1-3-6-14)17-8-4-7-15(13-17)23(20,21)18-9-11-22-12-10-18/h1-3,5-6,15H,4,7-13H2
InChIKeyJHJVYTQSMZSSOA-UHFFFAOYSA-N
XLogP0.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl-(3-pyrrolidin-1-ylsulfonylpiperidin-1-yl)methanone
CID 75474346
(2-methylphenyl)-[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]methanone
CID 97343511
(3S)-3-morpholin-4-ylsulfonyl-N-phenylpiperidine-1-carboxamide
CID 97343329
[3-(morpholin-4-ylsulfonylmethyl)piperidin-1-yl]-phenylmethanone
CID 122155789
1-benzoylpiperidine-3-sulfonyl chloride
CID 75480400
[(3S)-3-morpholin-4-ylsulfonylpiperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 97343487
4H-1,3-benzodioxin-6-yl-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473926
4-(1-benzoylpiperidin-3-yl)sulfonylpiperazin-2-one
CID 75474370
2-[(1-benzoylpiperidin-3-yl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 75474373
1-(3-morpholin-4-ylsulfonylpiperidin-1-yl)-2-thiophen-2-ylpropan-1-one
CID 127778958
[(3S)-3-methylpiperidin-1-yl]-(3-morpholin-4-ylsulfonylphenyl)methanone
CID 8764281
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473924

Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone?
The IUPAC name of (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone (CID 75473929) is (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone.
What is the SMILES notation for (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone?
The canonical SMILES for (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone is O=C(c1ccccc1)N1CCCC(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone?
The InChIKey is JHJVYTQSMZSSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c19-16(14-5-2-1-3-6-14)17-8-4-7-15(13-17)23(20,21)18-9-11-22-12-10-18/h1-3,5-6,15H,4,7-13H2.
What are the key properties of (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone?
(3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone has a molecular weight of 338.43 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylsulfonylpiperidin-1-yl)-phenylmethanone is sourced from PubChem (CID 75473929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).