9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one

C16H24N6O — CID 177341135

IUPAC9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
SMILESCn1c(=O)n(C2CCCC2)c2nc(NC3CCNCC3)ncc21
InChIInChI=1S/C16H24N6O/c1-21-13-10-18-15(19-11-6-8-17-9-7-11)20-14(13)22(16(21)23)12-4-2-3-5-12/h10-12,17H,2-9H2,1H3,(H,18,19,20)
InChIKeyHHOJVCHLORDNSZ-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.41
Rot. Bonds3

About 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one

9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one (PubChem CID 177341135) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one.

Molecular Properties

Compound Name9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
PubChem CID177341135
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC Name9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one
SMILESCn1c(=O)n(C2CCCC2)c2nc(NC3CCNCC3)ncc21
InChIInChI=1S/C16H24N6O/c1-21-13-10-18-15(19-11-6-8-17-9-7-11)20-14(13)22(16(21)23)12-4-2-3-5-12/h10-12,17H,2-9H2,1H3,(H,18,19,20)
InChIKeyHHOJVCHLORDNSZ-UHFFFAOYSA-N
XLogP1.41
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 177341126
8-cyclopentyl-2-hydrazinyl-5-methylpteridine-6,7-dione
CID 154640809
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-piperidin-4-ylpurin-8-one
CID 146275593
9-cyclopentyl-7-cyclopropyl-2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]purin-8-one
CID 177341136
8-cyclohexyl-2-(cyclohexylamino)pyrido[2,3-d]pyrimidin-7-one
CID 18375181
9-cyclopentyl-2-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-7-methylpurin-8-one
CID 67159293
9-cyclopentyl-2-[2-methoxy-4-(1-methylpiperidin-4-yl)anilino]-7-methylpurin-8-one
CID 67159329
7-methyl-2-[(7-methylquinolin-6-yl)amino]-9-[(3S)-pyrrolidin-3-yl]purin-8-one
CID 146273873
9-(1,1-dimethylthiepan-4-yl)-7-methyl-2-[(7-methylquinoxalin-6-yl)amino]purin-8-one
CID 176919004
9-[3-[4-[9-cyclopentyl-2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]-8-oxopurin-7-yl]-2-hydroxybutoxy]-3-methylcyclopentyl]-7-methyl-2-[[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]amino]purin-8-one
CID 177341160
N-cyclopentyl-6-ethyl-7-methylpyrrolo[2,3-d]pyrimidin-2-amine
CID 21039989
4-[(9-cyclopentyl-7-methyl-8-oxopurin-2-yl)amino]-3-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 67159686

Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one?
The IUPAC name of 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one (CID 177341135) is 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one.
What is the SMILES notation for 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one?
The canonical SMILES for 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one is Cn1c(=O)n(C2CCCC2)c2nc(NC3CCNCC3)ncc21.
What is the InChIKey of 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one?
The InChIKey is HHOJVCHLORDNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-21-13-10-18-15(19-11-6-8-17-9-7-11)20-14(13)22(16(21)23)12-4-2-3-5-12/h10-12,17H,2-9H2,1H3,(H,18,19,20).
What are the key properties of 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one?
9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one has a molecular weight of 316.41 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-7-methyl-2-(piperidin-4-ylamino)purin-8-one is sourced from PubChem (CID 177341135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).