(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone

C19H27N3O3S — CID 128926995

IUPAC(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
SMILESO=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H27N3O3S/c23-19(21-12-10-20(11-13-21)17-6-1-2-7-17)16-5-3-8-18(15-16)22-9-4-14-26(22,24)25/h3,5,8,15,17H,1-2,4,6-7,9-14H2
InChIKeyJLBSEPYOKGYTQC-UHFFFAOYSA-N
MW377.51 g/mol
LogP1.93
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone

(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone (PubChem CID 128926995) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
PubChem CID128926995
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
SMILESO=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C19H27N3O3S/c23-19(21-12-10-20(11-13-21)17-6-1-2-7-17)16-5-3-8-18(15-16)22-9-4-14-26(22,24)25/h3,5,8,15,17H,1-2,4,6-7,9-14H2
InChIKeyJLBSEPYOKGYTQC-UHFFFAOYSA-N
XLogP1.93
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120998010
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 7686080
1-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperidine-4-carboxamide
CID 7686132
[4-(1-aminoethyl)piperidin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 119520117
[3-(1,1-dioxothiazinan-2-yl)phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 7659007
[4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55587048
4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]-N,N-diethylpiperazine-1-carboxamide
CID 34220448
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 120655887
[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone
CID 51473315
[3-(1,1-dioxothiazinan-2-yl)phenyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 7499097
ethyl 4-[3-(1,1-dioxothiazinan-2-yl)benzoyl]piperazine-1-carboxylate
CID 7685998
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone (CID 128926995) is (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone is O=C(c1cccc(N2CCCS2(=O)=O)c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone?
The InChIKey is JLBSEPYOKGYTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c23-19(21-12-10-20(11-13-21)17-6-1-2-7-17)16-5-3-8-18(15-16)22-9-4-14-26(22,24)25/h3,5,8,15,17H,1-2,4,6-7,9-14H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone?
(4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone has a molecular weight of 377.51 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methanone is sourced from PubChem (CID 128926995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).