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

C18H22N4O2 — CID 91914636

IUPAC[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C18H22N4O2/c1-24-16-5-3-2-4-15(16)18(23)21-10-8-14(9-11-21)22-12-19-20-17(22)13-6-7-13/h2-5,12-14H,6-11H2,1H3
InChIKeyUZJPMPBRVXGPLX-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.64
Rot. Bonds4

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

[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 91914636) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID91914636
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC(n2cnnc2C2CC2)CC1
InChIInChI=1S/C18H22N4O2/c1-24-16-5-3-2-4-15(16)18(23)21-10-8-14(9-11-21)22-12-19-20-17(22)13-6-7-13/h2-5,12-14H,6-11H2,1H3
InChIKeyUZJPMPBRVXGPLX-UHFFFAOYSA-N
XLogP2.64
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone (CID 91914636) is [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC(n2cnnc2C2CC2)CC1.
What is the InChIKey of [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is UZJPMPBRVXGPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-5-3-2-4-15(16)18(23)21-10-8-14(9-11-21)22-12-19-20-17(22)13-6-7-13/h2-5,12-14H,6-11H2,1H3.
What are the key properties of [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone?
[4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 326.40 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-cyclopropyl-1,2,4-triazol-4-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 91914636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).