4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine

C18H24N4O — CID 53192274

IUPAC4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-23-16-4-2-3-13(11-16)12-22-9-7-15(8-10-22)18-19-17(20-21-18)14-5-6-14/h2-4,11,14-15H,5-10,12H2,1H3,(H,19,20,21)
InChIKeyNSJWFGFOTIQAJT-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.07
Rot. Bonds5

About 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine

4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine (PubChem CID 53192274) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine
PubChem CID53192274
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine
SMILESCOc1cccc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)c1
InChIInChI=1S/C18H24N4O/c1-23-16-4-2-3-13(11-16)12-22-9-7-15(8-10-22)18-19-17(20-21-18)14-5-6-14/h2-4,11,14-15H,5-10,12H2,1H3,(H,19,20,21)
InChIKeyNSJWFGFOTIQAJT-UHFFFAOYSA-N
XLogP3.07
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine?
The IUPAC name of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine (CID 53192274) is 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine?
The canonical SMILES for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine is COc1cccc(CN2CCC(c3nc(C4CC4)n[nH]3)CC2)c1.
What is the InChIKey of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine?
The InChIKey is NSJWFGFOTIQAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-23-16-4-2-3-13(11-16)12-22-9-7-15(8-10-22)18-19-17(20-21-18)14-5-6-14/h2-4,11,14-15H,5-10,12H2,1H3,(H,19,20,21).
What are the key properties of 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine?
4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine has a molecular weight of 312.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-1-[(3-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 53192274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).