[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone

C19H24N4O2 — CID 71863575

IUPAC[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-2-25-16-4-3-11-23(12-16)19(24)15-9-7-14(8-10-15)18-20-17(21-22-18)13-5-6-13/h7-10,13,16H,2-6,11-12H2,1H3,(H,20,21,22)
InChIKeyKECUFGUZDAMUAM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.99
Rot. Bonds5

About [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone

[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone (PubChem CID 71863575) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
PubChem CID71863575
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
SMILESCCOC1CCCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1
InChIInChI=1S/C19H24N4O2/c1-2-25-16-4-3-11-23(12-16)19(24)15-9-7-14(8-10-15)18-20-17(21-22-18)13-5-6-13/h7-10,13,16H,2-6,11-12H2,1H3,(H,20,21,22)
InChIKeyKECUFGUZDAMUAM-UHFFFAOYSA-N
XLogP2.99
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(aminomethyl)phenyl]-(3-ethoxypiperidin-1-yl)methanone
CID 54985369
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-ethoxypiperidin-1-yl]methanone
CID 94199651
(5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47403831
(4-bromo-5-cyclopropyl-1H-pyrazol-3-yl)-(3-ethoxypiperidin-1-yl)methanone
CID 47427180
(3-ethoxypiperidin-1-yl)-quinoxalin-6-ylmethanone
CID 16734283
(3-ethoxypiperidin-1-yl)-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 47911164
(3,5-dihydroxyphenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 103892247
2-ethoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]propan-1-one
CID 75517382
2-methoxy-1-[3-(3-phenyl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 53192169
[(3S)-3-ethoxypiperidin-1-yl]-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methanone
CID 95584023
tert-butyl 4-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)benzoyl]-3-methylpiperazine-1-carboxylate
CID 71863088
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730

Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
The IUPAC name of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone (CID 71863575) is [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone.
What is the SMILES notation for [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
The canonical SMILES for [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone is CCOC1CCCN(C(=O)c2ccc(-c3n[nH]c(C4CC4)n3)cc2)C1.
What is the InChIKey of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
The InChIKey is KECUFGUZDAMUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-25-16-4-3-11-23(12-16)19(24)15-9-7-14(8-10-15)18-20-17(21-22-18)13-5-6-13/h7-10,13,16H,2-6,11-12H2,1H3,(H,20,21,22).
What are the key properties of [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone?
[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone has a molecular weight of 340.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]-(3-ethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 71863575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).