(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide

C25H33N3O3 — CID 92891112

IUPAC(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@@H](CC)c3ccc(OC)cc3)c2)C1
InChIInChI=1S/C25H33N3O3/c1-4-23(18-11-13-22(31-3)14-12-18)27-24(29)20-9-6-8-19(16-20)21-10-7-15-28(17-21)25(30)26-5-2/h6,8-9,11-14,16,21,23H,4-5,7,10,15,17H2,1-3H3,(H,26,30)(H,27,29)/t21-,23-/m0/s1
InChIKeyQNUKAEPYDQXQLU-GMAHTHKFSA-N
MW423.56 g/mol
LogP4.49
Rot. Bonds7

About (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide

(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92891112) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92891112
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Name(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@@H](CC)c3ccc(OC)cc3)c2)C1
InChIInChI=1S/C25H33N3O3/c1-4-23(18-11-13-22(31-3)14-12-18)27-24(29)20-9-6-8-19(16-20)21-10-7-15-28(17-21)25(30)26-5-2/h6,8-9,11-14,16,21,23H,4-5,7,10,15,17H2,1-3H3,(H,26,30)(H,27,29)/t21-,23-/m0/s1
InChIKeyQNUKAEPYDQXQLU-GMAHTHKFSA-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 (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]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

3-[3-[1-(4-ethoxyphenyl)ethylcarbamoyl]phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788876
(3S)-3-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872947
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
(3S)-3-[3-[(4-methoxyphenyl)methylcarbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92890941
N-ethyl-3-[3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 50788858
3-[3-(cyclohexylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788931
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891172
3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 50788867
(3R)-3-[3-(dimethylcarbamoyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92890984
3-[3-(azepane-1-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 46334239
(3S)-3-[3-[[(2S)-butan-2-yl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891338

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide (CID 92891112) is (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@@H](CC)c3ccc(OC)cc3)c2)C1.
What is the InChIKey of (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is QNUKAEPYDQXQLU-GMAHTHKFSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-4-23(18-11-13-22(31-3)14-12-18)27-24(29)20-9-6-8-19(16-20)21-10-7-15-28(17-21)25(30)26-5-2/h6,8-9,11-14,16,21,23H,4-5,7,10,15,17H2,1-3H3,(H,26,30)(H,27,29)/t21-,23-/m0/s1.
What are the key properties of (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide?
(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-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 (3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92891112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).