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

C19H31N3O — CID 126941190

IUPAC3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCCC3)CC2)c(=O)c1C
InChIInChI=1S/C19H31N3O/c1-15-16(2)20-14-22(19(15)23)13-18-8-10-21(11-9-18)12-17-6-4-3-5-7-17/h14,17-18H,3-13H2,1-2H3
InChIKeyQVFZHVBDOOPBNN-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.15
Rot. Bonds4

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

3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (PubChem CID 126941190) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
PubChem CID126941190
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
SMILESCc1ncn(CC2CCN(CC3CCCCC3)CC2)c(=O)c1C
InChIInChI=1S/C19H31N3O/c1-15-16(2)20-14-22(19(15)23)13-18-8-10-21(11-9-18)12-17-6-4-3-5-7-17/h14,17-18H,3-13H2,1-2H3
InChIKeyQVFZHVBDOOPBNN-UHFFFAOYSA-N
XLogP3.15
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-3-[[1-(pyrimidin-5-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941297
5,6-dimethyl-3-[[1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941307
3-[[1-(2-hydroxycyclopentyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941461
5,6-dimethyl-3-[[1-[(1-methyl-6-oxopyrimidin-5-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941282
5,6-dimethyl-3-[[1-[(3-methyl-2-oxopyrimidin-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941276
5,6-dimethyl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzoxazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941334
3-[[1-[(2-cyclobutylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941294
5,6-dimethyl-3-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941342
3-[[1-[(2-cyclopropyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941323
3-[[1-[2-hydroxy-2-(5-methylfuran-2-yl)ethyl]piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941448
3-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one
CID 126941192
5,6-dimethyl-3-[[1-[2-(oxolan-2-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941072

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one (CID 126941190) is 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one is Cc1ncn(CC2CCN(CC3CCCCC3)CC2)c(=O)c1C.
What is the InChIKey of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
The InChIKey is QVFZHVBDOOPBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-15-16(2)20-14-22(19(15)23)13-18-8-10-21(11-9-18)12-17-6-4-3-5-7-17/h14,17-18H,3-13H2,1-2H3.
What are the key properties of 3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one?
3-[[1-(cyclohexylmethyl)piperidin-4-yl]methyl]-5,6-dimethylpyrimidin-4-one has a molecular weight of 317.48 g/mol, XLogP of 3.15, 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]-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 126941190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).