4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one

C22H24N4O3 — CID 170505167

IUPAC4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-13-18(8-7-16-5-3-2-4-6-16)29-22(28)19(15)21(27)26-11-9-17(10-12-26)20-23-14-24-25-20/h2-6,13-14,17H,7-12H2,1H3,(H,23,24,25)
InChIKeyJFTJEOYGELUWAH-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.87
Rot. Bonds5

About 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one

4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one (PubChem CID 170505167) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one
PubChem CID170505167
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCC(c2ncn[nH]2)CC1
InChIInChI=1S/C22H24N4O3/c1-15-13-18(8-7-16-5-3-2-4-6-16)29-22(28)19(15)21(27)26-11-9-17(10-12-26)20-23-14-24-25-20/h2-6,13-14,17H,7-12H2,1H3,(H,23,24,25)
InChIKeyJFTJEOYGELUWAH-UHFFFAOYSA-N
XLogP2.87
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one with MolForge

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Related Compounds

3-[3-(hydroxymethyl)piperidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170513030
4-methyl-3-[4-(4-methyl-1,2,4-triazol-3-yl)piperidine-1-carbonyl]-6-(3-phenylpropyl)pyran-2-one
CID 170507265
4-methyl-3-(4-methyl-1,4-diazepane-1-carbonyl)-6-(2-phenylethyl)pyran-2-one
CID 170507907
1-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperidine-4-carboxamide
CID 169415802
4-methyl-6-(3-phenylpropyl)-3-(pyrrolidine-1-carbonyl)pyran-2-one
CID 170512947
3-[(3S,4S)-3-hydroxy-4-methoxypyrrolidine-1-carbonyl]-4-methyl-6-(2-phenylethyl)pyran-2-one
CID 170507731
4-hydroxy-9-[4-methyl-2-oxo-6-(2-phenylethyl)pyran-3-carbonyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 170509540
3-[4-(4-hydroxybutyl)piperazine-1-carbonyl]-4-methyl-6-(3-phenylpropyl)pyran-2-one
CID 170502679
3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-4-methyl-6-(3-methylbutyl)pyran-2-one
CID 169414702
4-methyl-6-(3-phenylpropyl)-3-[(3S,5S)-3,4,5-trimethylpiperazine-1-carbonyl]pyran-2-one
CID 170508486
methyl 4-[4-methyl-2-oxo-6-(3-phenylpropyl)pyran-3-carbonyl]piperazine-1-carboxylate
CID 170511945
4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)-6-(3-phenylpropyl)pyran-2-one
CID 170502457

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one (CID 170505167) is 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one is Cc1cc(CCc2ccccc2)oc(=O)c1C(=O)N1CCC(c2ncn[nH]2)CC1.
What is the InChIKey of 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one?
The InChIKey is JFTJEOYGELUWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-13-18(8-7-16-5-3-2-4-6-16)29-22(28)19(15)21(27)26-11-9-17(10-12-26)20-23-14-24-25-20/h2-6,13-14,17H,7-12H2,1H3,(H,23,24,25).
What are the key properties of 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one?
4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one has a molecular weight of 392.46 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-phenylethyl)-3-[4-(1H-1,2,4-triazol-5-yl)piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 170505167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).