[1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone

C19H24N4O2 — CID 53192502

IUPAC[1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4nncn4C)CC3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-22-13-20-21-17(22)14-7-11-23(12-8-14)18(24)19(9-10-19)15-3-5-16(25-2)6-4-15/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHDALUEJHQXPMGQ-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.26
Rot. Bonds4

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

[1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (PubChem CID 53192502) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
PubChem CID53192502
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccc(C2(C(=O)N3CCC(c4nncn4C)CC3)CC2)cc1
InChIInChI=1S/C19H24N4O2/c1-22-13-20-21-17(22)14-7-11-23(12-8-14)18(24)19(9-10-19)15-3-5-16(25-2)6-4-15/h3-6,13-14H,7-12H2,1-2H3
InChIKeyHDALUEJHQXPMGQ-UHFFFAOYSA-N
XLogP2.26
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-6-oxo-N-[(4-propyl-4H-1,2,4-triazol-3-yl)methyl]-3-piperidinecarboxamide
CID 24790729
2-(3-Fluoro-4-methoxyphenyl)-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 32015185
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 38005466
3-(1,3-Benzodioxol-5-yl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 45811825
3-(3-Methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]propan-1-one
CID 51077909
2-(4-Methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51077912
2-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51079865
2-(3-Methoxyphenyl)-1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 51079866
1-[4-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 51123681
(3-fluoro-4-methoxyphenyl)[3-(4-methyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192719
[3-(4-ethyl-4H-1,2,4-triazol-3-yl)piperidino](3-fluoro-4-methoxyphenyl)methanone
CID 53192747
(3-fluoro-4-methoxyphenyl)[3-(4-propyl-4H-1,2,4-triazol-3-yl)piperidino]methanone
CID 53192800

Frequently Asked Questions

What is the IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone (CID 53192502) is [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is COc1ccc(C2(C(=O)N3CCC(c4nncn4C)CC3)CC2)cc1.
What is the InChIKey of [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
The InChIKey is HDALUEJHQXPMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-22-13-20-21-17(22)14-7-11-23(12-8-14)18(24)19(9-10-19)15-3-5-16(25-2)6-4-15/h3-6,13-14H,7-12H2,1-2H3.
What are the key properties of [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone?
[1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methoxyphenyl)cyclopropyl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 53192502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).