6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one

C20H26N4O3 — CID 126941537

IUPAC6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1noc(C)c1CC(=O)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-13-17(14(2)27-22-13)9-19(25)23-7-5-15(6-8-23)11-24-12-21-18(10-20(24)26)16-3-4-16/h10,12,15-16H,3-9,11H2,1-2H3
InChIKeyRFMCHMDWUCFPBW-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.21
Rot. Bonds5

About 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one

6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one (PubChem CID 126941537) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
PubChem CID126941537
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one
SMILESCc1noc(C)c1CC(=O)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1
InChIInChI=1S/C20H26N4O3/c1-13-17(14(2)27-22-13)9-19(25)23-7-5-15(6-8-23)11-24-12-21-18(10-20(24)26)16-3-4-16/h10,12,15-16H,3-9,11H2,1-2H3
InChIKeyRFMCHMDWUCFPBW-UHFFFAOYSA-N
XLogP2.21
TPSA81.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-cyclopropyl-3-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941670
N-cycloheptyl-4-[(4-cyclopropyl-6-oxopyrimidin-1-yl)methyl]piperidine-1-carboxamide
CID 126941551
1-[4-(6-cyclopropyl-1,8-naphthyridin-2-yl)piperidin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 163344763
6-(difluoromethyl)-3-[[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126943817
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
6-cyclopropyl-3-[[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941807
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone
CID 86780296
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-pyrazolo[1,5-a]pyrimidin-5-ylpiperidin-1-yl)ethanone
CID 110132853
4-[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]oxy-1,6-dimethylpyridin-2-one
CID 121156321
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
CID 110118569
6-cyclopropyl-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]pyrimidin-4-one
CID 126941650
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(1-methylpiperidin-2-yl)piperidin-1-yl]ethanone
CID 110252871

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one (CID 126941537) is 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one is Cc1noc(C)c1CC(=O)N1CCC(Cn2cnc(C3CC3)cc2=O)CC1.
What is the InChIKey of 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
The InChIKey is RFMCHMDWUCFPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-17(14(2)27-22-13)9-19(25)23-7-5-15(6-8-23)11-24-12-21-18(10-20(24)26)16-3-4-16/h10,12,15-16H,3-9,11H2,1-2H3.
What are the key properties of 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one?
6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one has a molecular weight of 370.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperidin-4-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 126941537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).