N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide

C20H20N6O — CID 1469717

IUPACN-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H20N6O/c1-14-2-7-19-18(12-14)23-24-26(19)17-8-10-25(11-9-17)20(27)22-16-5-3-15(13-21)4-6-16/h2-7,12,17H,8-11H2,1H3,(H,22,27)
InChIKeyGOIYLFULRREOFE-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.48
Rot. Bonds2

About N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide

N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide (PubChem CID 1469717) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide
PubChem CID1469717
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide
SMILESCc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1
InChIInChI=1S/C20H20N6O/c1-14-2-7-19-18(12-14)23-24-26(19)17-8-10-25(11-9-17)20(27)22-16-5-3-15(13-21)4-6-16/h2-7,12,17H,8-11H2,1H3,(H,22,27)
InChIKeyGOIYLFULRREOFE-UHFFFAOYSA-N
XLogP3.48
TPSA86.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide (CID 1469717) is N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide is Cc1ccc2c(c1)nnn2C1CCN(C(=O)Nc2ccc(C#N)cc2)CC1.
What is the InChIKey of N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
The InChIKey is GOIYLFULRREOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c1-14-2-7-19-18(12-14)23-24-26(19)17-8-10-25(11-9-17)20(27)22-16-5-3-15(13-21)4-6-16/h2-7,12,17H,8-11H2,1H3,(H,22,27).
What are the key properties of N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide?
N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-4-(5-methylbenzotriazol-1-yl)piperidine-1-carboxamide is sourced from PubChem (CID 1469717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).