3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

C16H23N3O2 — CID 126944705

IUPAC3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C16H23N3O2/c20-15-5-8-17-12-19(15)11-13-6-9-18(10-7-13)16(21)14-3-1-2-4-14/h5,8,12-14H,1-4,6-7,9-11H2
InChIKeyJGFCXJIPFORIJI-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.67
Rot. Bonds3

About 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944705) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944705
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(C1CCCC1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C16H23N3O2/c20-15-5-8-17-12-19(15)11-13-6-9-18(10-7-13)16(21)14-3-1-2-4-14/h5,8,12-14H,1-4,6-7,9-11H2
InChIKeyJGFCXJIPFORIJI-UHFFFAOYSA-N
XLogP1.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-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

3-(cyclohexylmethyl)pyrimidin-4-one
CID 115696955
3-[[1-[(1-acetylpiperidin-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944972
N-(oxolan-2-ylmethyl)-4-[(6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126944737
3-[[1-[(1-acetylpyrrolidin-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944971
3-[[1-[2-(2-methyl-1,3-thiazol-5-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944759
3-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]pyrimidin-4-one
CID 126944789
3-[[1-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944769
3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944822
3-[[1-(oxolan-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944997
3-[[1-(1,3-benzothiazole-2-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126944715
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
3-[[1-(cyclopent-3-ene-1-carbonyl)piperidin-4-yl]methyl]-6-pyridin-3-ylpyrimidin-4-one
CID 126942974

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944705) is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C(C1CCCC1)N1CCC(Cn2cnccc2=O)CC1.
What is the InChIKey of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is JGFCXJIPFORIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15-5-8-17-12-19(15)11-13-6-9-18(10-7-13)16(21)14-3-1-2-4-14/h5,8,12-14H,1-4,6-7,9-11H2.
What are the key properties of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 289.38 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).