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

C19H24N4O4 — CID 170511443

IUPAC4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C19H24N4O4/c1-13-10-16(14-4-8-26-9-5-14)27-19(25)17(13)18(24)22-6-2-15(3-7-22)23-11-20-21-12-23/h10-12,14-15H,2-9H2,1H3
InChIKeyYSQYHWFDIAZLPT-UHFFFAOYSA-N
MW372.43 g/mol
LogP1.91
Rot. Bonds3

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

4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one (PubChem CID 170511443) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one.

Molecular Properties

Compound Name4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
PubChem CID170511443
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
SMILESCc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCC(n2cnnc2)CC1
InChIInChI=1S/C19H24N4O4/c1-13-10-16(14-4-8-26-9-5-14)27-19(25)17(13)18(24)22-6-2-15(3-7-22)23-11-20-21-12-23/h10-12,14-15H,2-9H2,1H3
InChIKeyYSQYHWFDIAZLPT-UHFFFAOYSA-N
XLogP1.91
TPSA90.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-methyl-6-(oxan-4-yl)-3-[4-([1,2,4]triazolo[4,3-a]pyrimidin-5-yl)piperazine-1-carbonyl]pyran-2-one
CID 170512354
3-(3-fluoroazetidine-1-carbonyl)-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 170509110
6-cyclobutyl-4-methyl-3-(4-pyrrolidin-1-ylsulfonylpiperazine-1-carbonyl)pyran-2-one
CID 170507219
3-[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-methyl-6-(oxolan-3-yl)pyran-2-one
CID 171386250
3-[3-(1,3-benzoxazol-2-yl)piperidine-1-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170506177
4-methyl-6-(oxan-4-yl)-3-(1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)pyran-2-one
CID 170507014
3-[(4aS,6R,7aS)-6-(hydroxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine-4-carbonyl]-4-methyl-6-(oxan-4-yl)pyran-2-one
CID 170507921
N-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)-4-methyl-6-(oxan-4-yl)-2-oxopyran-3-carboxamide
CID 170507041
3-(3-aminopiperidine-1-carbonyl)-6-cyclobutyl-4-methylpyran-2-one;hydrochloride
CID 171710974
6-cyclobutyl-3-[4-[hydroxy(pyridin-2-yl)methyl]piperidine-1-carbonyl]-4-methylpyran-2-one
CID 170509181
3-[4-(5-chloro-2-pyridinyl)piperazine-1-carbonyl]-6-cyclobutyl-4-methylpyran-2-one
CID 170508839
N,4-dimethyl-6-(oxan-4-yl)-2-oxo-N-(thiophen-3-ylmethyl)pyran-3-carboxamide
CID 170513239

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one?
The IUPAC name of 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one (CID 170511443) is 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one.
What is the SMILES notation for 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one?
The canonical SMILES for 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one is Cc1cc(C2CCOCC2)oc(=O)c1C(=O)N1CCC(n2cnnc2)CC1.
What is the InChIKey of 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one?
The InChIKey is YSQYHWFDIAZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-13-10-16(14-4-8-26-9-5-14)27-19(25)17(13)18(24)22-6-2-15(3-7-22)23-11-20-21-12-23/h10-12,14-15H,2-9H2,1H3.
What are the key properties of 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one?
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one has a molecular weight of 372.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one is sourced from PubChem (CID 170511443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).