(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

C19H26N4O2 — CID 95714167

IUPAC(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C19H26N4O2/c1-2-25-18-10-4-3-9-17(18)21-19(24)23-14-6-5-8-16(23)11-15-22-13-7-12-20-22/h3-4,7,9-10,12-13,16H,2,5-6,8,11,14-15H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyDZMMIGAXONRVQN-INIZCTEOSA-N
MW342.44 g/mol
LogP3.76
Rot. Bonds6

About (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide

(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (PubChem CID 95714167) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
PubChem CID95714167
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C19H26N4O2/c1-2-25-18-10-4-3-9-17(18)21-19(24)23-14-6-5-8-16(23)11-15-22-13-7-12-20-22/h3-4,7,9-10,12-13,16H,2,5-6,8,11,14-15H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyDZMMIGAXONRVQN-INIZCTEOSA-N
XLogP3.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)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

Related Compounds

N-(2-ethoxyphenyl)-2-ethylpiperidine-1-carboxamide
CID 6468578
N-(2-methoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118766454
(2R)-N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97281204
N-(2-ethoxyphenyl)-3-oxo-3-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propanamide
CID 95127567
N-(3-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 56887203
N-(4-imidazol-1-ylphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118795948
(2S)-N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 97456362
N-(1-propylbenzimidazol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 72936728
(2S)-N-(furan-3-ylmethyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126439146
2-ethyl-N-(2-propan-2-yloxyphenyl)piperidine-1-carboxamide
CID 108990892
(2R)-N-(3-carbamoyl-4-fluorophenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126423251
(2R)-N-(1H-indol-5-yl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 125171803

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide (CID 95714167) is (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCC[C@H]1CCn1cccn1.
What is the InChIKey of (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
The InChIKey is DZMMIGAXONRVQN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-25-18-10-4-3-9-17(18)21-19(24)23-14-6-5-8-16(23)11-15-22-13-7-12-20-22/h3-4,7,9-10,12-13,16H,2,5-6,8,11,14-15H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide?
(2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-ethoxyphenyl)-2-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide is sourced from PubChem (CID 95714167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).