1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one

C21H25N3O4S2 — CID 33049487

IUPAC1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)s1
InChIInChI=1S/C21H25N3O4S2/c1-16-5-10-20(29-16)30(27,28)23-14-12-22(13-15-23)21(26)17-6-8-18(9-7-17)24-11-3-2-4-19(24)25/h5-10H,2-4,11-15H2,1H3
InChIKeyNZAFDRDNDBEYJF-UHFFFAOYSA-N
MW447.58 g/mol
LogP2.72
Rot. Bonds4

About 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one

1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one (PubChem CID 33049487) has the molecular formula C21H25N3O4S2 and a molecular weight of 447.58 g/mol. Its IUPAC name is 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one.

Molecular Properties

Compound Name1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
PubChem CID33049487
Molecular FormulaC21H25N3O4S2
Molecular Weight447.58 g/mol
Exact Mass447.13
IUPAC Name1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)s1
InChIInChI=1S/C21H25N3O4S2/c1-16-5-10-20(29-16)30(27,28)23-14-12-22(13-15-23)21(26)17-6-8-18(9-7-17)24-11-3-2-4-19(24)25/h5-10H,2-4,11-15H2,1H3
InChIKeyNZAFDRDNDBEYJF-UHFFFAOYSA-N
XLogP2.72
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-5-[4-[4-(2-oxopyrrolidin-1-yl)benzoyl]piperazin-1-yl]sulfonyl-3H-1,3-thiazol-2-one
CID 16615899
1-[4-[4-(2-chlorophenyl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one
CID 31199964
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
1-(5-methylthiophen-2-yl)sulfonyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-3-carboxamide
CID 24641470
1-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepane-1-carbonyl]phenyl]pyrrolidin-2-one
CID 26011013
1-[4-[4-(piperidine-1-carbonyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 24610385
1-[4-[4-(2,2-dimethylpropanoyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 134021429
1-[4-(4-hydroxypiperidine-1-carbonyl)phenyl]piperidin-2-one
CID 110882060
3-methyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one
CID 24682704
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
1-[4-(2-oxopiperidin-1-yl)benzoyl]piperidine-4-carboxamide
CID 32978699

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
The IUPAC name of 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one (CID 33049487) is 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one.
What is the SMILES notation for 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
The canonical SMILES for 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N4CCCCC4=O)cc3)CC2)s1.
What is the InChIKey of 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
The InChIKey is NZAFDRDNDBEYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S2/c1-16-5-10-20(29-16)30(27,28)23-14-12-22(13-15-23)21(26)17-6-8-18(9-7-17)24-11-3-2-4-19(24)25/h5-10H,2-4,11-15H2,1H3.
What are the key properties of 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one?
1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one has a molecular weight of 447.58 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carbonyl]phenyl]piperidin-2-one is sourced from PubChem (CID 33049487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).