9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one

C15H15N5O2S — CID 53181148

IUPAC9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one
SMILESO=C(c1cccs1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1
InChIInChI=1S/C15H15N5O2S/c21-14(12-2-1-7-23-12)19-5-3-10(4-6-19)20-13-11(18-15(20)22)8-16-9-17-13/h1-2,7-10H,3-6H2,(H,18,22)
InChIKeyKEVBOFRITMHYFT-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.66
Rot. Bonds2

About 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one

9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one (PubChem CID 53181148) has the molecular formula C15H15N5O2S and a molecular weight of 329.38 g/mol. Its IUPAC name is 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one.

Molecular Properties

Compound Name9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one
PubChem CID53181148
Molecular FormulaC15H15N5O2S
Molecular Weight329.38 g/mol
Exact Mass329.09
IUPAC Name9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one
SMILESO=C(c1cccs1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1
InChIInChI=1S/C15H15N5O2S/c21-14(12-2-1-7-23-12)19-5-3-10(4-6-19)20-13-11(18-15(20)22)8-16-9-17-13/h1-2,7-10H,3-6H2,(H,18,22)
InChIKeyKEVBOFRITMHYFT-UHFFFAOYSA-N
XLogP1.66
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one with MolForge

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

Launch Full Analysis

Related Compounds

9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one
CID 53181149
9-[1-[3-chloro-5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-7H-purin-8-one
CID 10025567
9-(oxan-4-yl)-7H-purin-8-one
CID 71061782
9-[1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-3-yl]-7H-purin-8-one
CID 53181108
(4-imidazol-1-ylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 136579926
3-[1-(thiophene-2-carbonyl)pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159693
ethane;(4-methylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 142506623
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-1,3-oxazolidin-2-one
CID 110710651
3-[1-[2-(ethylamino)-1,3-thiazole-5-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 136512317
[4-(1,3-thiazol-2-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 110289749
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217

Frequently Asked Questions

What is the IUPAC name of 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one?
The IUPAC name of 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one (CID 53181148) is 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one.
What is the SMILES notation for 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one?
The canonical SMILES for 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one is O=C(c1cccs1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1.
What is the InChIKey of 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one?
The InChIKey is KEVBOFRITMHYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2S/c21-14(12-2-1-7-23-12)19-5-3-10(4-6-19)20-13-11(18-15(20)22)8-16-9-17-13/h1-2,7-10H,3-6H2,(H,18,22).
What are the key properties of 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one?
9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one has a molecular weight of 329.38 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one is sourced from PubChem (CID 53181148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).