3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

C26H35N3O3 — CID 46334158

IUPAC3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCOCCCNC(=O)c1cccc(C2CCCN(C(=O)Nc3ccc(CC)cc3)C2)c1
InChIInChI=1S/C26H35N3O3/c1-3-20-11-13-24(14-12-20)28-26(31)29-16-6-10-23(19-29)21-8-5-9-22(18-21)25(30)27-15-7-17-32-4-2/h5,8-9,11-14,18,23H,3-4,6-7,10,15-17,19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYWQYRNUUMKMHEX-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.82
Rot. Bonds9

About 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide

3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide (PubChem CID 46334158) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
PubChem CID46334158
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
SMILESCCOCCCNC(=O)c1cccc(C2CCCN(C(=O)Nc3ccc(CC)cc3)C2)c1
InChIInChI=1S/C26H35N3O3/c1-3-20-11-13-24(14-12-20)28-26(31)29-16-6-10-23(19-29)21-8-5-9-22(18-21)25(30)27-15-7-17-32-4-2/h5,8-9,11-14,18,23H,3-4,6-7,10,15-17,19H2,1-2H3,(H,27,30)(H,28,31)
InChIKeyYWQYRNUUMKMHEX-UHFFFAOYSA-N
XLogP4.82
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)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

(3S)-N-(4-ethylphenyl)-3-[3-(3-pyrrolidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872769
(3S)-N-(4-ethylphenyl)-3-[3-[3-(4-methylpiperazin-1-yl)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872765
(3S)-3-[3-[2-(diethylamino)ethylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 92872741
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
3-[3-[(3-chlorophenyl)methylcarbamoyl]phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide
CID 46334145
(3R)-N-phenyl-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872832
(3S)-N-(4-chlorophenyl)-3-[3-(3-propan-2-yloxypropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872675
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
(3R)-N-phenyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872808
(3R)-N-(4-chlorophenyl)-3-[3-[3-(diethylamino)propylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872610
(3S)-N-(4-ethoxyphenyl)-3-[3-(2-piperidin-1-ylethylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92872545
(3S)-N-(4-ethoxyphenyl)-3-[3-[(3-fluorophenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872593

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The IUPAC name of 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide (CID 46334158) is 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide is CCOCCCNC(=O)c1cccc(C2CCCN(C(=O)Nc3ccc(CC)cc3)C2)c1.
What is the InChIKey of 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
The InChIKey is YWQYRNUUMKMHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-3-20-11-13-24(14-12-20)28-26(31)29-16-6-10-23(19-29)21-8-5-9-22(18-21)25(30)27-15-7-17-32-4-2/h5,8-9,11-14,18,23H,3-4,6-7,10,15-17,19H2,1-2H3,(H,27,30)(H,28,31).
What are the key properties of 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide?
3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide has a molecular weight of 437.58 g/mol, XLogP of 4.82, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-ethoxypropylcarbamoyl)phenyl]-N-(4-ethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 46334158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).