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

C15H21N3O2 — CID 126940584

IUPAC3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CC3)CC2)c1=O
InChIInChI=1S/C15H21N3O2/c1-11-8-16-10-18(14(11)19)9-12-4-6-17(7-5-12)15(20)13-2-3-13/h8,10,12-13H,2-7,9H2,1H3
InChIKeyLDZWLAWZRZJADM-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.20
Rot. Bonds3

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

3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (PubChem CID 126940584) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
PubChem CID126940584
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one
SMILESCc1cncn(CC2CCN(C(=O)C3CC3)CC2)c1=O
InChIInChI=1S/C15H21N3O2/c1-11-8-16-10-18(14(11)19)9-12-4-6-17(7-5-12)15(20)13-2-3-13/h8,10,12-13H,2-7,9H2,1H3
InChIKeyLDZWLAWZRZJADM-UHFFFAOYSA-N
XLogP1.20
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-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

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The IUPAC name of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one (CID 126940584) is 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one.
What is the SMILES notation for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The canonical SMILES for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is Cc1cncn(CC2CCN(C(=O)C3CC3)CC2)c1=O.
What is the InChIKey of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
The InChIKey is LDZWLAWZRZJADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-8-16-10-18(14(11)19)9-12-4-6-17(7-5-12)15(20)13-2-3-13/h8,10,12-13H,2-7,9H2,1H3.
What are the key properties of 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one?
3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methylpyrimidin-4-one is sourced from PubChem (CID 126940584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).