N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide

C21H21N5O2 — CID 31134393

IUPACN-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC(=O)N1CCC(n2cc(-c3ccccc3)nn2)CC1)c1ccccc1
InChIInChI=1S/C21H21N5O2/c27-20(17-9-5-2-6-10-17)22-21(28)25-13-11-18(12-14-25)26-15-19(23-24-26)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2,(H,22,27,28)
InChIKeyXFSHAWRUOHNDJV-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.13
Rot. Bonds3

About N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide

N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide (PubChem CID 31134393) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
PubChem CID31134393
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC NameN-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide
SMILESO=C(NC(=O)N1CCC(n2cc(-c3ccccc3)nn2)CC1)c1ccccc1
InChIInChI=1S/C21H21N5O2/c27-20(17-9-5-2-6-10-17)22-21(28)25-13-11-18(12-14-25)26-15-19(23-24-26)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2,(H,22,27,28)
InChIKeyXFSHAWRUOHNDJV-UHFFFAOYSA-N
XLogP3.13
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150130
N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
N-(4-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150131
N-(4-fluorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150134
N-(2-chlorophenyl)-3-(4-phenyltriazol-1-yl)pyrrolidine-1-carboxamide
CID 121150148
3-(4-phenyltriazol-1-yl)-N-propylpyrrolidine-1-carboxamide
CID 121150133
(4-tert-butylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150086
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
(3-methylphenyl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150088
naphthalen-2-yl-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150080
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 86264897
(1-methylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150009

Frequently Asked Questions

What is the IUPAC name of N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide (CID 31134393) is N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide is O=C(NC(=O)N1CCC(n2cc(-c3ccccc3)nn2)CC1)c1ccccc1.
What is the InChIKey of N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is XFSHAWRUOHNDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(17-9-5-2-6-10-17)22-21(28)25-13-11-18(12-14-25)26-15-19(23-24-26)16-7-3-1-4-8-16/h1-10,15,18H,11-14H2,(H,22,27,28).
What are the key properties of N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide?
N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzoyl-4-(4-phenyltriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 31134393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).