3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

C17H29N3O — CID 126942124

IUPAC3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)CN1CCC(Cn2cnc(C(C)C)cc2=O)CC1
InChIInChI=1S/C17H29N3O/c1-13(2)10-19-7-5-15(6-8-19)11-20-12-18-16(14(3)4)9-17(20)21/h9,12-15H,5-8,10-11H2,1-4H3
InChIKeyZXEPGMNKGFPJIB-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.73
Rot. Bonds5

About 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one

3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (PubChem CID 126942124) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
PubChem CID126942124
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
SMILESCC(C)CN1CCC(Cn2cnc(C(C)C)cc2=O)CC1
InChIInChI=1S/C17H29N3O/c1-13(2)10-19-7-5-15(6-8-19)11-20-12-18-16(14(3)4)9-17(20)21/h9,12-15H,5-8,10-11H2,1-4H3
InChIKeyZXEPGMNKGFPJIB-UHFFFAOYSA-N
XLogP2.73
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethyl)-3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943916
3-[[1-(oxan-3-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942346
3-[[1-(1,2-oxazol-4-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942298
6-propan-2-yl-3-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942129
3-[[1-(6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazin-2-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942206
3-[[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942109
3-[[1-(1-cyclopropyl-2-oxopyrrolidin-3-yl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942335
3-[[1-[(2-cyclopropylpyrimidin-4-yl)methyl]piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942238
6-propan-2-yl-3-[[1-(1,3,4-thiadiazol-2-yl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942387
6-propan-2-yl-3-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126942272
3-[[1-(cyclobutylmethyl)piperidin-4-yl]methyl]-6-(difluoromethyl)pyrimidin-4-one
CID 126944098
3-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one
CID 126942196

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The IUPAC name of 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one (CID 126942124) is 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is CC(C)CN1CCC(Cn2cnc(C(C)C)cc2=O)CC1.
What is the InChIKey of 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
The InChIKey is ZXEPGMNKGFPJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)10-19-7-5-15(6-8-19)11-20-12-18-16(14(3)4)9-17(20)21/h9,12-15H,5-8,10-11H2,1-4H3.
What are the key properties of 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one?
3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one has a molecular weight of 291.44 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-6-propan-2-ylpyrimidin-4-one is sourced from PubChem (CID 126942124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).