1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide

C17H24N6O — CID 72862622

IUPAC1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C17H24N6O/c1-3-22-11-7-10-17(2,13-22)16(24)18-12-15-19-20-21-23(15)14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,18,24)
InChIKeyMKCYMHPFAWFONF-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.40
Rot. Bonds5

About 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide

1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 72862622) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID72862622
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCN1CCCC(C)(C(=O)NCc2nnnn2-c2ccccc2)C1
InChIInChI=1S/C17H24N6O/c1-3-22-11-7-10-17(2,13-22)16(24)18-12-15-19-20-21-23(15)14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,18,24)
InChIKeyMKCYMHPFAWFONF-UHFFFAOYSA-N
XLogP1.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-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 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide (CID 72862622) is 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide is CCN1CCCC(C)(C(=O)NCc2nnnn2-c2ccccc2)C1.
What is the InChIKey of 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is MKCYMHPFAWFONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-22-11-7-10-17(2,13-22)16(24)18-12-15-19-20-21-23(15)14-8-5-4-6-9-14/h4-6,8-9H,3,7,10-13H2,1-2H3,(H,18,24).
What are the key properties of 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide?
1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[(1-phenyltetrazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 72862622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).