(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

C19H20N4O2 — CID 119074993

IUPAC(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(n3cnnc3)CC2)c(-c2ccccc2)o1
InChIInChI=1S/C19H20N4O2/c1-14-11-17(18(25-14)15-5-3-2-4-6-15)19(24)22-9-7-16(8-10-22)23-12-20-21-13-23/h2-6,11-13,16H,7-10H2,1H3
InChIKeyPSMAIPZKNDTEKW-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.32
Rot. Bonds3

About (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone

(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (PubChem CID 119074993) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
PubChem CID119074993
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC(n3cnnc3)CC2)c(-c2ccccc2)o1
InChIInChI=1S/C19H20N4O2/c1-14-11-17(18(25-14)15-5-3-2-4-6-15)19(24)22-9-7-16(8-10-22)23-12-20-21-13-23/h2-6,11-13,16H,7-10H2,1H3
InChIKeyPSMAIPZKNDTEKW-UHFFFAOYSA-N
XLogP3.32
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxynaphthalen-1-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064875
(2,5-dimethylfuran-3-yl)-[(7S)-7-phenyl-1,4-thiazepan-4-yl]methanone
CID 99903831
(2-methylimidazo[1,2-a]pyridin-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 90654006
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
3-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-phenyl-1,3-oxazolidin-2-one
CID 23763355
(6R)-1-methyl-4-(5-methyl-2-phenylfuran-3-carbonyl)-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 97208590
1-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-one
CID 3703063
(2R)-2-naphthalen-2-yloxy-1-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]propan-1-one
CID 97110031
[(2R,5R)-5-phenylpyrrolidin-2-yl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 155493050
[2-(3-aminopropoxy)-5-methoxyphenyl]-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 118777830
4-methyl-6-(oxan-4-yl)-3-[4-(1,2,4-triazol-4-yl)piperidine-1-carbonyl]pyran-2-one
CID 170511443
(4-chloro-1,3-dimethylpyrazol-5-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 119064301

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone (CID 119074993) is (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC(n3cnnc3)CC2)c(-c2ccccc2)o1.
What is the InChIKey of (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is PSMAIPZKNDTEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-11-17(18(25-14)15-5-3-2-4-6-15)19(24)22-9-7-16(8-10-22)23-12-20-21-13-23/h2-6,11-13,16H,7-10H2,1H3.
What are the key properties of (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone?
(5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 336.40 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-phenylfuran-3-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 119074993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).