[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

C19H24N4O2 — CID 53192426

IUPAC[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-12-11-15(25-2)5-6-16(12)19(24)23-9-7-14(8-10-23)18-20-17(21-22-18)13-3-4-13/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,20,21,22)
InChIKeyCWCZJMXIHHJUIJ-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.02
Rot. Bonds4

About [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone

[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 53192426) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID53192426
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)c(C)c1
InChIInChI=1S/C19H24N4O2/c1-12-11-15(25-2)5-6-16(12)19(24)23-9-7-14(8-10-23)18-20-17(21-22-18)13-3-4-13/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,20,21,22)
InChIKeyCWCZJMXIHHJUIJ-UHFFFAOYSA-N
XLogP3.02
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.02
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)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (CID 53192426) is [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is COc1ccc(C(=O)N2CCC(c3nc(C4CC4)n[nH]3)CC2)c(C)c1.
What is the InChIKey of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is CWCZJMXIHHJUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12-11-15(25-2)5-6-16(12)19(24)23-9-7-14(8-10-23)18-20-17(21-22-18)13-3-4-13/h5-6,11,13-14H,3-4,7-10H2,1-2H3,(H,20,21,22).
What are the key properties of [4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
[4-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 340.43 g/mol, XLogP of 3.02, 4 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)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 53192426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).