N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

C18H25N5O — CID 87052261

IUPACN-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCCC1c1nncn1-c1ccccc1
InChIInChI=1S/C18H25N5O/c1-14(2)12-19-18(24)22-11-7-6-10-16(22)17-21-20-13-23(17)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,19,24)
InChIKeyKYWNKXWOSDJMGU-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.16
Rot. Bonds4

About N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide

N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (PubChem CID 87052261) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
PubChem CID87052261
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC NameN-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCCC1c1nncn1-c1ccccc1
InChIInChI=1S/C18H25N5O/c1-14(2)12-19-18(24)22-11-7-6-10-16(22)17-21-20-13-23(17)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,19,24)
InChIKeyKYWNKXWOSDJMGU-UHFFFAOYSA-N
XLogP3.16
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide (CID 87052261) is N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCCC1c1nncn1-c1ccccc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
The InChIKey is KYWNKXWOSDJMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)12-19-18(24)22-11-7-6-10-16(22)17-21-20-13-23(17)15-8-4-3-5-9-15/h3-5,8-9,13-14,16H,6-7,10-12H2,1-2H3,(H,19,24).
What are the key properties of N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide?
N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-phenyl-1,2,4-triazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 87052261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).