3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

C24H31N3O3 — CID 50788910

IUPAC3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccccc3OCC)c2)C1
InChIInChI=1S/C24H31N3O3/c1-3-25-24(29)27-14-8-12-21(17-27)18-10-7-11-19(15-18)23(28)26-16-20-9-5-6-13-22(20)30-4-2/h5-7,9-11,13,15,21H,3-4,8,12,14,16-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyIRUXDYBYQNOBPO-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.92
Rot. Bonds7

About 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide

3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (PubChem CID 50788910) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
PubChem CID50788910
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
SMILESCCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccccc3OCC)c2)C1
InChIInChI=1S/C24H31N3O3/c1-3-25-24(29)27-14-8-12-21(17-27)18-10-7-11-19(15-18)23(28)26-16-20-9-5-6-13-22(20)30-4-2/h5-7,9-11,13,15,21H,3-4,8,12,14,16-17H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyIRUXDYBYQNOBPO-UHFFFAOYSA-N
XLogP3.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
3-[(3S)-1-benzoylpiperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872473
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
(3R)-N-(4-ethylphenyl)-3-[3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 92872750
3-[(3S)-1-(4-methoxybenzoyl)piperidin-3-yl]-N-[(2-methoxyphenyl)methyl]benzamide
CID 92872341
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788876
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
3-[3-[(2-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 46334247
(3S)-N-ethyl-3-[3-(3-piperidin-1-ylpropylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92891115

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The IUPAC name of 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide (CID 50788910) is 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The canonical SMILES for 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is CCNC(=O)N1CCCC(c2cccc(C(=O)NCc3ccccc3OCC)c2)C1.
What is the InChIKey of 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
The InChIKey is IRUXDYBYQNOBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-3-25-24(29)27-14-8-12-21(17-27)18-10-7-11-19(15-18)23(28)26-16-20-9-5-6-13-22(20)30-4-2/h5-7,9-11,13,15,21H,3-4,8,12,14,16-17H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide?
3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 50788910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).