3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

C18H27N3O2 — CID 126941040

IUPAC3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C(=O)C3CCCC3)CC2)c(=O)c1C
InChIInChI=1S/C18H27N3O2/c1-13-14(2)19-12-21(17(13)22)11-15-7-9-20(10-8-15)18(23)16-5-3-4-6-16/h12,15-16H,3-11H2,1-2H3
InChIKeyBSBRXSULRLHCJE-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.29
Rot. Bonds3

About 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one

3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941040) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941040
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(C(=O)C3CCCC3)CC2)c(=O)c1C
InChIInChI=1S/C18H27N3O2/c1-13-14(2)19-12-21(17(13)22)11-15-7-9-20(10-8-15)18(23)16-5-3-4-6-16/h12,15-16H,3-11H2,1-2H3
InChIKeyBSBRXSULRLHCJE-UHFFFAOYSA-N
XLogP2.29
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941040) is 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2CCN(C(=O)C3CCCC3)CC2)c(=O)c1C.
What is the InChIKey of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is BSBRXSULRLHCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-13-14(2)19-12-21(17(13)22)11-15-7-9-20(10-8-15)18(23)16-5-3-4-6-16/h12,15-16H,3-11H2,1-2H3.
What are the key properties of 3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(cyclopentanecarbonyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 317.43 g/mol, XLogP of 2.29, 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]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).