2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

C21H26N4O3 — CID 124994211

IUPAC2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCC[C@H](c3nc(C)c(CC(N)=O)c(C)n3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-13-18(11-19(22)26)14(2)24-20(23-13)16-7-5-9-25(12-16)21(27)15-6-4-8-17(10-15)28-3/h4,6,8,10,16H,5,7,9,11-12H2,1-3H3,(H2,22,26)/t16-/m0/s1
InChIKeyQDEWJVWZHNFBGO-INIZCTEOSA-N
MW382.46 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide

2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 124994211) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID124994211
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCOc1cccc(C(=O)N2CCC[C@H](c3nc(C)c(CC(N)=O)c(C)n3)C2)c1
InChIInChI=1S/C21H26N4O3/c1-13-18(11-19(22)26)14(2)24-20(23-13)16-7-5-9-25(12-16)21(27)15-6-4-8-17(10-15)28-3/h4,6,8,10,16H,5,7,9,11-12H2,1-3H3,(H2,22,26)/t16-/m0/s1
InChIKeyQDEWJVWZHNFBGO-INIZCTEOSA-N
XLogP2.15
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide 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

2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125006080
2-[2-[(3S)-1-(2,5-dimethoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124971971
2-[4,6-dimethyl-2-[1-(2-phenoxyacetyl)piperidin-3-yl]pyrimidin-5-yl]acetamide
CID 110083309
2-[2-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 124961099
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 124967312
2-[2-[1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083301
(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
N-ethyl-2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125026551
(3-bromopiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 80660380
2-[1-(3-methoxybenzoyl)piperidin-3-yl]-6-methyl-1H-pyridin-4-one
CID 110225032
[1-(3-methoxybenzoyl)piperidin-3-yl]-(4-methylphenyl)methanone
CID 110394605
2-[2-[(3S)-1-benzoylpyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-pyrrolidin-1-ylethanone
CID 125023466

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (CID 124994211) is 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is COc1cccc(C(=O)N2CCC[C@H](c3nc(C)c(CC(N)=O)c(C)n3)C2)c1.
What is the InChIKey of 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is QDEWJVWZHNFBGO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-13-18(11-19(22)26)14(2)24-20(23-13)16-7-5-9-25(12-16)21(27)15-6-4-8-17(10-15)28-3/h4,6,8,10,16H,5,7,9,11-12H2,1-3H3,(H2,22,26)/t16-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 382.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 124994211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).