N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

C13H22N4O2 — CID 71781185

IUPACN-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C13H22N4O2/c1-19-10-6-14-13(18)16-8-3-12(4-9-16)11-17-7-2-5-15-17/h2,5,7,12H,3-4,6,8-11H2,1H3,(H,14,18)
InChIKeyMNMPZZLFNQFERS-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.95
Rot. Bonds5

About N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide

N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (PubChem CID 71781185) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
PubChem CID71781185
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide
SMILESCOCCNC(=O)N1CCC(Cn2cccn2)CC1
InChIInChI=1S/C13H22N4O2/c1-19-10-6-14-13(18)16-8-3-12(4-9-16)11-17-7-2-5-15-17/h2,5,7,12H,3-4,6,8-11H2,1H3,(H,14,18)
InChIKeyMNMPZZLFNQFERS-UHFFFAOYSA-N
XLogP0.95
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)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-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide (CID 71781185) is N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is COCCNC(=O)N1CCC(Cn2cccn2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
The InChIKey is MNMPZZLFNQFERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-19-10-6-14-13(18)16-8-3-12(4-9-16)11-17-7-2-5-15-17/h2,5,7,12H,3-4,6,8-11H2,1H3,(H,14,18).
What are the key properties of N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide?
N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(pyrazol-1-ylmethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71781185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).