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

C20H23FN4O2 — CID 125006080

IUPAC2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(N)=O
InChIInChI=1S/C20H23FN4O2/c1-12-17(10-18(22)26)13(2)24-19(23-12)15-6-4-8-25(11-15)20(27)14-5-3-7-16(21)9-14/h3,5,7,9,15H,4,6,8,10-11H2,1-2H3,(H2,22,26)/t15-/m1/s1
InChIKeyUDPQQDKSADMSJI-OAHLLOKOSA-N
MW370.43 g/mol
LogP2.28
Rot. Bonds4

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

2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (PubChem CID 125006080) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
PubChem CID125006080
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
SMILESCc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(N)=O
InChIInChI=1S/C20H23FN4O2/c1-12-17(10-18(22)26)13(2)24-19(23-12)15-6-4-8-25(11-15)20(27)14-5-3-7-16(21)9-14/h3,5,7,9,15H,4,6,8,10-11H2,1-2H3,(H2,22,26)/t15-/m1/s1
InChIKeyUDPQQDKSADMSJI-OAHLLOKOSA-N
XLogP2.28
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3R)-1-(3-fluorobenzoyl)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]-N-methylacetamide
CID 124967312
2-[2-[1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-methylacetamide
CID 110083301
N-ethyl-2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 125026551
2-[2-[(3S)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylacetamide
CID 124961099
2-[2-[(3S)-1-(3-methoxybenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide
CID 124994211
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-benzoylpyrrolidin-3-yl]-4,6-dimethylpyrimidin-5-yl]-1-pyrrolidin-1-ylethanone
CID 125023466
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
[3-(2-aminoethyl)piperidin-1-yl]-(3-fluorophenyl)methanone
CID 63767654
(3-fluorophenyl)-(3-phenylazepan-1-yl)methanone
CID 90608444
(3-fluorophenyl)-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110234470

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The IUPAC name of 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide (CID 125006080) is 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is Cc1nc([C@@H]2CCCN(C(=O)c3cccc(F)c3)C2)nc(C)c1CC(N)=O.
What is the InChIKey of 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
The InChIKey is UDPQQDKSADMSJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-12-17(10-18(22)26)13(2)24-19(23-12)15-6-4-8-25(11-15)20(27)14-5-3-7-16(21)9-14/h3,5,7,9,15H,4,6,8,10-11H2,1-2H3,(H2,22,26)/t15-/m1/s1.
What are the key properties of 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide?
2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide has a molecular weight of 370.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-1-(3-fluorobenzoyl)piperidin-3-yl]-4,6-dimethylpyrimidin-5-yl]acetamide is sourced from PubChem (CID 125006080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).