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

C19H20N4O2 — CID 53192506

IUPAC[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2nncn2Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(17-7-4-12-25-17)22-10-8-16(9-11-22)18-21-20-14-23(18)13-15-5-2-1-3-6-15/h1-7,12,14,16H,8-11,13H2
InChIKeyQBXHRICDGXXDOH-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.94
Rot. Bonds4

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

[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone (PubChem CID 53192506) has the molecular formula C19H20N4O2 and a molecular weight of 336.39 g/mol. Its IUPAC name is [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
PubChem CID53192506
Molecular FormulaC19H20N4O2
Molecular Weight336.39 g/mol
Exact Mass336.16
IUPAC Name[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCC(c2nncn2Cc2ccccc2)CC1
InChIInChI=1S/C19H20N4O2/c24-19(17-7-4-12-25-17)22-10-8-16(9-11-22)18-21-20-14-23(18)13-15-5-2-1-3-6-15/h1-7,12,14,16H,8-11,13H2
InChIKeyQBXHRICDGXXDOH-UHFFFAOYSA-N
XLogP2.94
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192503
[(3R)-3-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 95111313
furan-2-yl-[4-(3-phenyl-1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 91904969
[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 95271676
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2660030
2-[benzyl(methyl)amino]-1-[4-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]ethanone
CID 56779983
5-[1-(furan-2-carbonyl)piperidin-4-yl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide
CID 46376420
4-benzyl-2-methyl-5-[1-(1,3-oxazole-5-carbonyl)piperidin-4-yl]-1,2,4-triazol-3-one
CID 56714567
[4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole-6-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110385406
[4-(3-cyclopropyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 42852416
furan-2-yl-[3-[3-[(2S)-oxolan-2-yl]-1,2,4-triazol-4-yl]azetidin-1-yl]methanone
CID 164633720

Frequently Asked Questions

What is the IUPAC name of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone (CID 53192506) is [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCC(c2nncn2Cc2ccccc2)CC1.
What is the InChIKey of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is QBXHRICDGXXDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c24-19(17-7-4-12-25-17)22-10-8-16(9-11-22)18-21-20-14-23(18)13-15-5-2-1-3-6-15/h1-7,12,14,16H,8-11,13H2.
What are the key properties of [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone?
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 336.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 53192506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).