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

C16H17N5O2S — CID 53181149

IUPAC9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one
SMILESO=C(Cc1cccs1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1
InChIInChI=1S/C16H17N5O2S/c22-14(8-12-2-1-7-24-12)20-5-3-11(4-6-20)21-15-13(19-16(21)23)9-17-10-18-15/h1-2,7,9-11H,3-6,8H2,(H,19,23)
InChIKeyUVFMGEUQWHXVOD-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.59
Rot. Bonds3

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

9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one (PubChem CID 53181149) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one.

Molecular Properties

Compound Name9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one
PubChem CID53181149
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one
SMILESO=C(Cc1cccs1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1
InChIInChI=1S/C16H17N5O2S/c22-14(8-12-2-1-7-24-12)20-5-3-11(4-6-20)21-15-13(19-16(21)23)9-17-10-18-15/h1-2,7,9-11H,3-6,8H2,(H,19,23)
InChIKeyUVFMGEUQWHXVOD-UHFFFAOYSA-N
XLogP1.59
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-[1-(thiophene-2-carbonyl)piperidin-4-yl]-7H-purin-8-one
CID 53181148
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
1-[4-(azepan-1-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110667085
2-thiophen-2-yl-1-[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]ethanone
CID 110364980
9-(1-but-2-ynoylpyrrolidin-3-yl)-7H-purin-8-one
CID 175848647
9-(1-methylsulfonylpiperidin-4-yl)-7H-purin-8-one
CID 141313318
1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 92571713
1-[4-(4-acetylpiperazine-1-carbonyl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 113003840
1-[4-(4-fluorophenoxy)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110396938
1-(2-thiophen-2-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918355
1-cyclohexyl-3-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]urea
CID 110820715

Frequently Asked Questions

What is the IUPAC name of 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one?
The IUPAC name of 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one (CID 53181149) is 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one.
What is the SMILES notation for 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one?
The canonical SMILES for 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one is O=C(Cc1cccs1)N1CCC(n2c(=O)[nH]c3cncnc32)CC1.
What is the InChIKey of 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one?
The InChIKey is UVFMGEUQWHXVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-14(8-12-2-1-7-24-12)20-5-3-11(4-6-20)21-15-13(19-16(21)23)9-17-10-18-15/h1-2,7,9-11H,3-6,8H2,(H,19,23).
What are the key properties of 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one?
9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one has a molecular weight of 343.41 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]-7H-purin-8-one is sourced from PubChem (CID 53181149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).