4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one

C14H21N3O — CID 136729575

IUPAC4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C14H21N3O/c18-13-10-12(11-6-2-3-7-11)15-14(16-13)17-8-4-1-5-9-17/h10-11H,1-9H2,(H,15,16,18)
InChIKeyXRBYDEHFAJIGQM-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.42
Rot. Bonds2

About 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one

4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 136729575) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID136729575
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(C2CCCC2)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C14H21N3O/c18-13-10-12(11-6-2-3-7-11)15-14(16-13)17-8-4-1-5-9-17/h10-11H,1-9H2,(H,15,16,18)
InChIKeyXRBYDEHFAJIGQM-UHFFFAOYSA-N
XLogP2.42
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-4-(1-cyclohexyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881815
4-[(3S)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 136681420
4-[1-(5,6-dimethyl-1,2,4-triazin-3-yl)pyrrolidin-3-yl]-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 137248018
4-hydroxy-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 30033455
2-piperidin-1-yl-4-[(3R)-1-[(2-propan-2-ylpyrimidin-5-yl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 135963374
2-(azepan-1-yl)-4-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136869579
4-[1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136765877
2-(azepan-1-yl)-4-(1-benzyl-5-oxopyrrolidin-3-yl)-1H-pyrimidin-6-one
CID 136881801
4-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136821065
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
2-piperidin-1-yl-4-[(3S)-1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136735481
4-tert-butyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135973612

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 136729575) is 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one is O=c1cc(C2CCCC2)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is XRBYDEHFAJIGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c18-13-10-12(11-6-2-3-7-11)15-14(16-13)17-8-4-1-5-9-17/h10-11H,1-9H2,(H,15,16,18).
What are the key properties of 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 247.34 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136729575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).