3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one

C17H25N3O2 — CID 126944706

IUPAC3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(CC1CCCC1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C17H25N3O2/c21-16-5-8-18-13-20(16)12-15-6-9-19(10-7-15)17(22)11-14-3-1-2-4-14/h5,8,13-15H,1-4,6-7,9-12H2
InChIKeyBELZVRGVDFSXDY-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.06
Rot. Bonds4

About 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one

3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126944706) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126944706
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one
SMILESO=C(CC1CCCC1)N1CCC(Cn2cnccc2=O)CC1
InChIInChI=1S/C17H25N3O2/c21-16-5-8-18-13-20(16)12-15-6-9-19(10-7-15)17(22)11-14-3-1-2-4-14/h5,8,13-15H,1-4,6-7,9-12H2
InChIKeyBELZVRGVDFSXDY-UHFFFAOYSA-N
XLogP2.06
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one (CID 126944706) is 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one is O=C(CC1CCCC1)N1CCC(Cn2cnccc2=O)CC1.
What is the InChIKey of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is BELZVRGVDFSXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-16-5-8-18-13-20(16)12-15-6-9-19(10-7-15)17(22)11-14-3-1-2-4-14/h5,8,13-15H,1-4,6-7,9-12H2.
What are the key properties of 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one?
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 303.41 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126944706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).