4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide

C21H22FN5O — CID 31074756

IUPAC4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C21H22FN5O/c22-17-6-8-18(9-7-17)23-21(28)26-12-10-20(11-13-26)27-15-19(24-25-27)14-16-4-2-1-3-5-16/h1-9,15,20H,10-14H2,(H,23,28)
InChIKeyXMGOAUGJBQGSRC-UHFFFAOYSA-N
MW379.44 g/mol
LogP3.88
Rot. Bonds4

About 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide

4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 31074756) has the molecular formula C21H22FN5O and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID31074756
Molecular FormulaC21H22FN5O
Molecular Weight379.44 g/mol
Exact Mass379.18
IUPAC Name4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESO=C(Nc1ccc(F)cc1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1
InChIInChI=1S/C21H22FN5O/c22-17-6-8-18(9-7-17)23-21(28)26-12-10-20(11-13-26)27-15-19(24-25-27)14-16-4-2-1-3-5-16/h1-9,15,20H,10-14H2,(H,23,28)
InChIKeyXMGOAUGJBQGSRC-UHFFFAOYSA-N
XLogP3.88
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 31074756) is 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide is O=C(Nc1ccc(F)cc1)N1CCC(n2cc(Cc3ccccc3)nn2)CC1.
What is the InChIKey of 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is XMGOAUGJBQGSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O/c22-17-6-8-18(9-7-17)23-21(28)26-12-10-20(11-13-26)27-15-19(24-25-27)14-16-4-2-1-3-5-16/h1-9,15,20H,10-14H2,(H,23,28).
What are the key properties of 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyltriazol-1-yl)-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 31074756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).