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

C18H24N4O2 — CID 53192356

IUPAC[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCCc1nc(C2CCN(C(=O)c3ccc(OC)cc3C)CC2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-4-16-19-17(21-20-16)13-7-9-22(10-8-13)18(23)15-6-5-14(24-3)11-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,20,21)
InChIKeyFNODJFWEKWRBST-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.70
Rot. Bonds4

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

[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (PubChem CID 53192356) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
PubChem CID53192356
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone
SMILESCCc1nc(C2CCN(C(=O)c3ccc(OC)cc3C)CC2)n[nH]1
InChIInChI=1S/C18H24N4O2/c1-4-16-19-17(21-20-16)13-7-9-22(10-8-13)18(23)15-6-5-14(24-3)11-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,20,21)
InChIKeyFNODJFWEKWRBST-UHFFFAOYSA-N
XLogP2.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The IUPAC name of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone (CID 53192356) is [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone.
What is the SMILES notation for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The canonical SMILES for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is CCc1nc(C2CCN(C(=O)c3ccc(OC)cc3C)CC2)n[nH]1.
What is the InChIKey of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
The InChIKey is FNODJFWEKWRBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-4-16-19-17(21-20-16)13-7-9-22(10-8-13)18(23)15-6-5-14(24-3)11-12(15)2/h5-6,11,13H,4,7-10H2,1-3H3,(H,19,20,21).
What are the key properties of [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone?
[4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone has a molecular weight of 328.42 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-(4-methoxy-2-methylphenyl)methanone is sourced from PubChem (CID 53192356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).