6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one

C25H28N4O4S — CID 22583482

IUPAC6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28N4O4S/c30-24-9-6-20-18-22(7-8-23(20)26-24)34(32,33)29-12-10-19(11-13-29)25(31)28-16-14-27(15-17-28)21-4-2-1-3-5-21/h1-9,18-19H,10-17H2,(H,26,30)
InChIKeyAQUOVKKPVVIPLU-UHFFFAOYSA-N
MW480.59 g/mol
LogP2.28
Rot. Bonds4

About 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one

6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one (PubChem CID 22583482) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
PubChem CID22583482
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one
SMILESO=C(C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C25H28N4O4S/c30-24-9-6-20-18-22(7-8-23(20)26-24)34(32,33)29-12-10-19(11-13-29)25(31)28-16-14-27(15-17-28)21-4-2-1-3-5-21/h1-9,18-19H,10-17H2,(H,26,30)
InChIKeyAQUOVKKPVVIPLU-UHFFFAOYSA-N
XLogP2.28
TPSA93.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 22549897
N-cyclopentyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549885
N-cyclooctyl-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22549884
(4-phenylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylpiperidin-4-yl)methanone
CID 46602664
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26534447
N-(3-chlorophenyl)-1-[(2-oxo-1H-quinolin-6-yl)sulfonyl]piperidine-4-carboxamide
CID 22583495
(4-phenylpiperazin-1-yl)-[1-[4-(pyrrolidine-1-carbonyl)thiophen-2-yl]sulfonylpiperidin-4-yl]methanone
CID 53006795
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 2532194
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 55955194
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 52724337
[4-(4-fluorophenyl)piperazin-1-yl]-(1-phenylpiperidin-4-yl)methanone
CID 17152277
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one?
The IUPAC name of 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one (CID 22583482) is 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one is O=C(C1CCN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)CC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one?
The InChIKey is AQUOVKKPVVIPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c30-24-9-6-20-18-22(7-8-23(20)26-24)34(32,33)29-12-10-19(11-13-29)25(31)28-16-14-27(15-17-28)21-4-2-1-3-5-21/h1-9,18-19H,10-17H2,(H,26,30).
What are the key properties of 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one?
6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one has a molecular weight of 480.59 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]sulfonyl-1H-quinolin-2-one is sourced from PubChem (CID 22583482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).