9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one

C16H17N5O3 — CID 53181163

IUPAC9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one
SMILESCn1c(=O)n(C2CCN(C(=O)c3ccoc3)CC2)c2ncncc21
InChIInChI=1S/C16H17N5O3/c1-19-13-8-17-10-18-14(13)21(16(19)23)12-2-5-20(6-3-12)15(22)11-4-7-24-9-11/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyRPDNNBISODYPJS-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.20
Rot. Bonds2

About 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one

9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one (PubChem CID 53181163) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one.

Molecular Properties

Compound Name9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one
PubChem CID53181163
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one
SMILESCn1c(=O)n(C2CCN(C(=O)c3ccoc3)CC2)c2ncncc21
InChIInChI=1S/C16H17N5O3/c1-19-13-8-17-10-18-14(13)21(16(19)23)12-2-5-20(6-3-12)15(22)11-4-7-24-9-11/h4,7-10,12H,2-3,5-6H2,1H3
InChIKeyRPDNNBISODYPJS-UHFFFAOYSA-N
XLogP1.20
TPSA86.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-methyl-9-[1-(pyridine-3-carbonyl)piperidin-4-yl]purin-8-one
CID 53181166
7-methyl-9-[1-(6-methylpyridine-3-carbonyl)pyrrolidin-3-yl]purin-8-one
CID 87051726
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410
N-(2-methoxyethyl)-3-(7-methyl-8-oxopurin-9-yl)piperidine-1-carboxamide
CID 87051759
3-[(3R)-1-(1,3-benzodioxole-5-carbonyl)pyrrolidin-3-yl]-1-methylimidazo[4,5-b]pyridin-2-one
CID 91909913
tert-butyl 4-(1-methyl-2-oxoimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate
CID 125461639
6-chloro-3-[1-(furan-3-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968093
N-[1-(furan-3-carbonyl)piperidin-4-yl]-6-methoxypyridine-3-carboxamide
CID 38214016
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
[4-(2,3-dihydroindol-1-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53015005
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834

Frequently Asked Questions

What is the IUPAC name of 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one?
The IUPAC name of 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one (CID 53181163) is 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one.
What is the SMILES notation for 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one?
The canonical SMILES for 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one is Cn1c(=O)n(C2CCN(C(=O)c3ccoc3)CC2)c2ncncc21.
What is the InChIKey of 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one?
The InChIKey is RPDNNBISODYPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-19-13-8-17-10-18-14(13)21(16(19)23)12-2-5-20(6-3-12)15(22)11-4-7-24-9-11/h4,7-10,12H,2-3,5-6H2,1H3.
What are the key properties of 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one?
9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one has a molecular weight of 327.34 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(furan-3-carbonyl)piperidin-4-yl]-7-methylpurin-8-one is sourced from PubChem (CID 53181163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).