3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

C25H33N3O3 — CID 50788876

IUPAC3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NC(C)c3ccc(OCC)cc3)c2)C1
InChIInChI=1S/C25H33N3O3/c1-4-26-25(30)28-15-7-10-22(17-28)20-8-6-9-21(16-20)24(29)27-18(3)19-11-13-23(14-12-19)31-5-2/h6,8-9,11-14,16,18,22H,4-5,7,10,15,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyFOTZYTDRYMMTOC-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.49
Rot. Bonds7

About 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 50788876) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
PubChem CID50788876
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NC(C)c3ccc(OCC)cc3)c2)C1
InChIInChI=1S/C25H33N3O3/c1-4-26-25(30)28-15-7-10-22(17-28)20-8-6-9-21(16-20)24(29)27-18(3)19-11-13-23(14-12-19)31-5-2/h6,8-9,11-14,16,18,22H,4-5,7,10,15,17H2,1-3H3,(H,26,30)(H,27,29)
InChIKeyFOTZYTDRYMMTOC-UHFFFAOYSA-N
XLogP4.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-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

(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
(3S)-3-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872947
(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891112
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891474
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788910
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338
N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034

Frequently Asked Questions

What is the IUPAC name of 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (CID 50788876) is 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)NC(C)c3ccc(OCC)cc3)c2)C1.
What is the InChIKey of 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is FOTZYTDRYMMTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-26-25(30)28-15-7-10-22(17-28)20-8-6-9-21(16-20)24(29)27-18(3)19-11-13-23(14-12-19)31-5-2/h6,8-9,11-14,16,18,22H,4-5,7,10,15,17H2,1-3H3,(H,26,30)(H,27,29).
What are the key properties of 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 423.56 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 50788876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).