3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

C18H29N3O — CID 126940727

IUPAC3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCCCC3)CC2)c1=O
InChIInChI=1S/C18H29N3O/c1-15-11-19-14-21(18(15)22)13-17-7-9-20(10-8-17)12-16-5-3-2-4-6-16/h11,14,16-17H,2-10,12-13H2,1H3
InChIKeyADPUJQLKKNQIGI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.84
Rot. Bonds4

About 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one

3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940727) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940727
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(CC3CCCCC3)CC2)c1=O
InChIInChI=1S/C18H29N3O/c1-15-11-19-14-21(18(15)22)13-17-7-9-20(10-8-17)12-16-5-3-2-4-6-16/h11,14,16-17H,2-10,12-13H2,1H3
InChIKeyADPUJQLKKNQIGI-UHFFFAOYSA-N
XLogP2.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940727) is 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is Cc1cncn(CC2CCN(CC3CCCCC3)CC2)c1=O.
What is the InChIKey of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is ADPUJQLKKNQIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15-11-19-14-21(18(15)22)13-17-7-9-20(10-8-17)12-16-5-3-2-4-6-16/h11,14,16-17H,2-10,12-13H2,1H3.
What are the key properties of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 303.45 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).