(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide

C20H28N4O2 — CID 126448080

IUPAC(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)NCCOc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-17-21-11-15-23(17)14-10-18-7-5-6-13-24(18)20(25)22-12-16-26-19-8-3-2-4-9-19/h2-4,8-9,11,15,18H,5-7,10,12-14,16H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyYFFZTWKNKQAZAX-SFHVURJKSA-N
MW356.47 g/mol
LogP3.22
Rot. Bonds7

About (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide

(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide (PubChem CID 126448080) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
PubChem CID126448080
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide
SMILESCc1nccn1CC[C@@H]1CCCCN1C(=O)NCCOc1ccccc1
InChIInChI=1S/C20H28N4O2/c1-17-21-11-15-23(17)14-10-18-7-5-6-13-24(18)20(25)22-12-16-26-19-8-3-2-4-9-19/h2-4,8-9,11,15,18H,5-7,10,12-14,16H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyYFFZTWKNKQAZAX-SFHVURJKSA-N
XLogP3.22
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)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

(2S)-N-[3-(2-fluorophenyl)propyl]-2-[2-(2-methylimidazol-1-yl)ethyl]piperidine-1-carboxamide
CID 125444012
[3-(difluoromethoxy)phenyl]-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574821
[3-(difluoromethoxy)phenyl]-[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96574820
3-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-N-(2-methylphenyl)-3-oxopropanamide
CID 94612882
(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 125162917
[(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]-(1-methylindol-3-yl)methanone
CID 96573836
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-[3-(1,3-oxazol-5-yl)phenyl]piperidine-1-carboxamide
CID 97281863
1H-indol-6-yl-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 96572403
3-(4-chloropyrazol-1-yl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]propan-1-one
CID 125174346
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
2-(2-chloro-6-fluorophenyl)-1-[(2R)-2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]ethanone
CID 96579454
N-[2-(4-chloro-3,5-dimethylphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112977193

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide?
The IUPAC name of (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide (CID 126448080) is (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide is Cc1nccn1CC[C@@H]1CCCCN1C(=O)NCCOc1ccccc1.
What is the InChIKey of (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide?
The InChIKey is YFFZTWKNKQAZAX-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-17-21-11-15-23(17)14-10-18-7-5-6-13-24(18)20(25)22-12-16-26-19-8-3-2-4-9-19/h2-4,8-9,11,15,18H,5-7,10,12-14,16H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide?
(2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(2-methylimidazol-1-yl)ethyl]-N-(2-phenoxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 126448080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).