[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone

C18H22N4O — CID 53192510

IUPAC[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(c2nncn2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(16-6-7-16)21-10-8-15(9-11-21)17-20-19-13-22(17)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2
InChIKeyASIWARQXVHNJGV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.44
Rot. Bonds4

About [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone

[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone (PubChem CID 53192510) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone
PubChem CID53192510
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCC(c2nncn2Cc2ccccc2)CC1
InChIInChI=1S/C18H22N4O/c23-18(16-6-7-16)21-10-8-15(9-11-21)17-20-19-13-22(17)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2
InChIKeyASIWARQXVHNJGV-UHFFFAOYSA-N
XLogP2.44
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 53192506
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192503
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 95271676
[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111313
2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 56779983
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
1-[2-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-methoxyethanone
CID 87052229
[4-(1-benzylimidazol-2-yl)piperidin-1-yl]-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]methanone
CID 97275791
cyclopropyl-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 86914488
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 95338732
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone (CID 53192510) is [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone is O=C(C1CC1)N1CCC(c2nncn2Cc2ccccc2)CC1.
What is the InChIKey of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone?
The InChIKey is ASIWARQXVHNJGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c23-18(16-6-7-16)21-10-8-15(9-11-21)17-20-19-13-22(17)12-14-4-2-1-3-5-14/h1-5,13,15-16H,6-12H2.
What are the key properties of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone?
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone has a molecular weight of 310.40 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 53192510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).