(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

C23H28N2O4S — CID 26590971

IUPAC(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4S/c26-23(24-12-10-20(11-13-24)18-19-4-2-1-3-5-19)21-6-8-22(9-7-21)30(27,28)25-14-16-29-17-15-25/h1-9,20H,10-18H2
InChIKeyQFXBCDFQKUPWHO-UHFFFAOYSA-N
MW428.55 g/mol
LogP2.80
Rot. Bonds5

About (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone

(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (PubChem CID 26590971) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
PubChem CID26590971
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H28N2O4S/c26-23(24-12-10-20(11-13-24)18-19-4-2-1-3-5-19)21-6-8-22(9-7-21)30(27,28)25-14-16-29-17-15-25/h1-9,20H,10-18H2
InChIKeyQFXBCDFQKUPWHO-UHFFFAOYSA-N
XLogP2.80
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzylpyrrolidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24627934
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
4-[3-(4-benzylpiperidin-1-yl)sulfonylphenyl]sulfonylmorpholine
CID 651778
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 8803149
(4-benzylpiperidin-1-yl)-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164898776
[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119978011
(4-benzylpiperidin-1-yl)-(4-nitrophenyl)methanone
CID 814715
[4-(benzenesulfonyl)piperazin-1-yl]-(4-morpholin-4-ylphenyl)methanone
CID 70703458
[4-[2-(4-ethoxyphenyl)ethyl]piperidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 24575278
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-morpholin-4-ylsulfonylphenyl)methanone
CID 90585697
N-methyl-2-[1-(4-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]sulfonylacetamide
CID 90592568

Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The IUPAC name of (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone (CID 26590971) is (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
The InChIKey is QFXBCDFQKUPWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c26-23(24-12-10-20(11-13-24)18-19-4-2-1-3-5-19)21-6-8-22(9-7-21)30(27,28)25-14-16-29-17-15-25/h1-9,20H,10-18H2.
What are the key properties of (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone?
(4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone has a molecular weight of 428.55 g/mol, XLogP of 2.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperidin-1-yl)-(4-morpholin-4-ylsulfonylphenyl)methanone is sourced from PubChem (CID 26590971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).