2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

C19H25N5O — CID 91903859

IUPAC2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCCC2c2nc(C3CC3)n[nH]2)cc1
InChIInChI=1S/C19H25N5O/c1-13-5-7-14(8-6-13)12-20-19(25)24-11-3-2-4-16(24)18-21-17(22-23-18)15-9-10-15/h5-8,15-16H,2-4,9-12H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyABHDDEOQVCBOSJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.43
Rot. Bonds4

About 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide

2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (PubChem CID 91903859) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
PubChem CID91903859
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
SMILESCc1ccc(CNC(=O)N2CCCCC2c2nc(C3CC3)n[nH]2)cc1
InChIInChI=1S/C19H25N5O/c1-13-5-7-14(8-6-13)12-20-19(25)24-11-3-2-4-16(24)18-21-17(22-23-18)15-9-10-15/h5-8,15-16H,2-4,9-12H2,1H3,(H,20,25)(H,21,22,23)
InChIKeyABHDDEOQVCBOSJ-UHFFFAOYSA-N
XLogP3.43
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The IUPAC name of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide (CID 91903859) is 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide is Cc1ccc(CNC(=O)N2CCCCC2c2nc(C3CC3)n[nH]2)cc1.
What is the InChIKey of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
The InChIKey is ABHDDEOQVCBOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-5-7-14(8-6-13)12-20-19(25)24-11-3-2-4-16(24)18-21-17(22-23-18)15-9-10-15/h5-8,15-16H,2-4,9-12H2,1H3,(H,20,25)(H,21,22,23).
What are the key properties of 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide?
2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1H-1,2,4-triazol-5-yl)-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).