N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide

C15H20N6O — CID 110196499

IUPACN-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(c3nnnn3C)C2)c1
InChIInChI=1S/C15H20N6O/c1-11-5-3-7-13(9-11)16-15(22)21-8-4-6-12(10-21)14-17-18-19-20(14)2/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,16,22)
InChIKeyUMQMKNBRRNPOCM-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.93
Rot. Bonds2

About N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide

N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide (PubChem CID 110196499) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide
PubChem CID110196499
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC(c3nnnn3C)C2)c1
InChIInChI=1S/C15H20N6O/c1-11-5-3-7-13(9-11)16-15(22)21-8-4-6-12(10-21)14-17-18-19-20(14)2/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,16,22)
InChIKeyUMQMKNBRRNPOCM-UHFFFAOYSA-N
XLogP1.93
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide?
The IUPAC name of N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide (CID 110196499) is N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC(c3nnnn3C)C2)c1.
What is the InChIKey of N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide?
The InChIKey is UMQMKNBRRNPOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-5-3-7-13(9-11)16-15(22)21-8-4-6-12(10-21)14-17-18-19-20(14)2/h3,5,7,9,12H,4,6,8,10H2,1-2H3,(H,16,22).
What are the key properties of N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide?
N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide has a molecular weight of 300.37 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylphenyl)-3-(1-methyltetrazol-5-yl)piperidine-1-carboxamide is sourced from PubChem (CID 110196499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).