2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one

C16H24N4O2 — CID 136804107

IUPAC2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)C3(C)CCCCN3C)C2)n1
InChIInChI=1S/C16H24N4O2/c1-11-8-13(21)18-14(17-11)12-9-20(10-12)15(22)16(2)6-4-5-7-19(16)3/h8,12H,4-7,9-10H2,1-3H3,(H,17,18,21)
InChIKeyMSANWWREVXEAFH-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.88
Rot. Bonds2

About 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one

2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136804107) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136804107
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)C3(C)CCCCN3C)C2)n1
InChIInChI=1S/C16H24N4O2/c1-11-8-13(21)18-14(17-11)12-9-20(10-12)15(22)16(2)6-4-5-7-19(16)3/h8,12H,4-7,9-10H2,1-3H3,(H,17,18,21)
InChIKeyMSANWWREVXEAFH-UHFFFAOYSA-N
XLogP0.88
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-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

4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 136972392
2-[(3R)-1-[(1R)-cyclohex-3-ene-1-carbonyl]pyrrolidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860390
(1,2-dimethylpiperidin-2-yl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)azetidin-1-yl]methanone
CID 110258350
methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate
CID 137241318
4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136804115
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
2-[4-[1-(2-fluorophenyl)cyclopropanecarbonyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136844328
2-[(2R)-1-[(1S)-cyclohex-3-ene-1-carbonyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860375
4-methyl-2-[(2R)-1-[(3R)-oxolane-3-carbonyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136860377
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
1,2-dimethylpiperidine-2-carboxylic acid
CID 73440704

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one (CID 136804107) is 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(C(=O)C3(C)CCCCN3C)C2)n1.
What is the InChIKey of 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MSANWWREVXEAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11-8-13(21)18-14(17-11)12-9-20(10-12)15(22)16(2)6-4-5-7-19(16)3/h8,12H,4-7,9-10H2,1-3H3,(H,17,18,21).
What are the key properties of 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one?
2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 304.39 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136804107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).