(3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone

C15H18N2O2S — CID 148629791

IUPAC(3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone
SMILESCc1nc(C2=CCC(C(=O)N3CCCC(O)C3)=C2)cs1
InChIInChI=1S/C15H18N2O2S/c1-10-16-14(9-20-10)11-4-5-12(7-11)15(19)17-6-2-3-13(18)8-17/h4,7,9,13,18H,2-3,5-6,8H2,1H3
InChIKeyNHXSBXDEFBTVKM-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.15
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone

(3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone (PubChem CID 148629791) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone
PubChem CID148629791
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name(3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone
SMILESCc1nc(C2=CCC(C(=O)N3CCCC(O)C3)=C2)cs1
InChIInChI=1S/C15H18N2O2S/c1-10-16-14(9-20-10)11-4-5-12(7-11)15(19)17-6-2-3-13(18)8-17/h4,7,9,13,18H,2-3,5-6,8H2,1H3
InChIKeyNHXSBXDEFBTVKM-UHFFFAOYSA-N
XLogP2.15
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone (CID 148629791) is (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone is Cc1nc(C2=CCC(C(=O)N3CCCC(O)C3)=C2)cs1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
The InChIKey is NHXSBXDEFBTVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-10-16-14(9-20-10)11-4-5-12(7-11)15(19)17-6-2-3-13(18)8-17/h4,7,9,13,18H,2-3,5-6,8H2,1H3.
What are the key properties of (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone?
(3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone has a molecular weight of 290.39 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-dien-1-yl]methanone is sourced from PubChem (CID 148629791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).