2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one

C20H21N3O2S — CID 155505565

IUPAC2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)c3c(C)sc4ccccc34)CC2)cc(=O)[nH]1
InChIInChI=1S/C20H21N3O2S/c1-12-19(15-5-3-4-6-17(15)26-12)20(25)23-9-7-14(8-10-23)16-11-18(24)22-13(2)21-16/h3-6,11,14H,7-10H2,1-2H3,(H,21,22,24)
InChIKeyUNTQHRHZTKPBKL-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.62
Rot. Bonds2

About 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one

2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (PubChem CID 155505565) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
PubChem CID155505565
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2CCN(C(=O)c3c(C)sc4ccccc34)CC2)cc(=O)[nH]1
InChIInChI=1S/C20H21N3O2S/c1-12-19(15-5-3-4-6-17(15)26-12)20(25)23-9-7-14(8-10-23)16-11-18(24)22-13(2)21-16/h3-6,11,14H,7-10H2,1-2H3,(H,21,22,24)
InChIKeyUNTQHRHZTKPBKL-UHFFFAOYSA-N
XLogP3.62
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-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

[(3R)-3-aminopyrrolidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone;hydrochloride
CID 163334626
2-methyl-4-[1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135858684
2-methyl-4-[1-[3-(1H-1,2,4-triazol-5-yl)benzoyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 135890725
2-methyl-4-[(3S)-1-(1,3-thiazole-4-carbonyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136816696
N-(4-methoxyphenyl)-4-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-1-carboxamide
CID 136988407
4-[1-[(2R)-2-(dimethylamino)-2-(3-methylphenyl)acetyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136822759
2-methyl-4-[1-[5-(1-methylpyrrol-2-yl)pyrazolidine-3-carbonyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 137296107
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-(2-methyl-1-benzothiophen-3-yl)methanone
CID 154816969
4-[1-[(2R)-4-acetylpiperazine-2-carbonyl]piperidin-4-yl]-2-methyl-1H-pyrimidin-6-one
CID 136715636
4-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one (CID 155505565) is 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is Cc1nc(C2CCN(C(=O)c3c(C)sc4ccccc34)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is UNTQHRHZTKPBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-12-19(15-5-3-4-6-17(15)26-12)20(25)23-9-7-14(8-10-23)16-11-18(24)22-13(2)21-16/h3-6,11,14H,7-10H2,1-2H3,(H,21,22,24).
What are the key properties of 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one?
2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 367.47 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[1-(2-methyl-1-benzothiophene-3-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 155505565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).