4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one

C18H22N4O2 — CID 136734998

IUPAC4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)n1
InChIInChI=1S/C18H22N4O2/c1-3-15-9-16(23)21-17(20-15)14-5-4-8-22(11-14)18(24)13-7-6-12(2)19-10-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyGDVSGKIWTGXDQK-CQSZACIVSA-N
MW326.40 g/mol
LogP2.06
Rot. Bonds3

About 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one

4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136734998) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136734998
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)n1
InChIInChI=1S/C18H22N4O2/c1-3-15-9-16(23)21-17(20-15)14-5-4-8-22(11-14)18(24)13-7-6-12(2)19-10-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,20,21,23)/t14-/m1/s1
InChIKeyGDVSGKIWTGXDQK-CQSZACIVSA-N
XLogP2.06
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-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-ethyl-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707434
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136816528
6-(4-methylcyclohexyl)-2-[1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796146
4-ethyl-2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136707435
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872
4-ethyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136816540
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079
2-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-4-ethyl-1H-pyrimidin-6-one
CID 136707388
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-thiophen-3-yl-1H-pyrimidin-6-one
CID 136681468
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
[(3R)-3-[(2S,5R)-2,5-dimethylpyrrolidin-1-yl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 95585981
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one (CID 136734998) is 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)nc3)C2)n1.
What is the InChIKey of 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is GDVSGKIWTGXDQK-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-15-9-16(23)21-17(20-15)14-5-4-8-22(11-14)18(24)13-7-6-12(2)19-10-13/h6-7,9-10,14H,3-5,8,11H2,1-2H3,(H,20,21,23)/t14-/m1/s1.
What are the key properties of 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one?
4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 326.40 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[(3R)-1-(6-methylpyridine-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136734998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).