(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide

C23H28FN3O2 — CID 92891102

IUPAC(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H28FN3O2/c1-3-25-23(29)27-13-5-8-20(15-27)18-6-4-7-19(14-18)22(28)26-16(2)17-9-11-21(24)12-10-17/h4,6-7,9-12,14,16,20H,3,5,8,13,15H2,1-2H3,(H,25,29)(H,26,28)/t16-,20+/m1/s1
InChIKeyXNAUHOZPNAKXOE-UZLBHIALSA-N
MW397.49 g/mol
LogP4.23
Rot. Bonds5

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

(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide (PubChem CID 92891102) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
PubChem CID92891102
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC Name(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
SMILESCCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)C1
InChIInChI=1S/C23H28FN3O2/c1-3-25-23(29)27-13-5-8-20(15-27)18-6-4-7-19(14-18)22(28)26-16(2)17-9-11-21(24)12-10-17/h4,6-7,9-12,14,16,20H,3,5,8,13,15H2,1-2H3,(H,25,29)(H,26,28)/t16-,20+/m1/s1
InChIKeyXNAUHOZPNAKXOE-UZLBHIALSA-N
XLogP4.23
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]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
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891474
(3R)-N-ethyl-3-[3-[[(1S)-1-(4-methoxyphenyl)propyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891112
(3S)-3-[3-[[(1R)-1-(4-methoxyphenyl)ethyl]carbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92872947
(3R)-N-ethyl-3-[3-(propylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 92890982
(3R)-3-[3-[(3,5-difluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperidine-1-carboxamide
CID 92891212
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

Frequently Asked Questions

What is the IUPAC name of (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide (CID 92891102) is (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide is CCNC(=O)N1CCC[C@H](c2cccc(C(=O)N[C@H](C)c3ccc(F)cc3)c2)C1.
What is the InChIKey of (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide?
The InChIKey is XNAUHOZPNAKXOE-UZLBHIALSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-3-25-23(29)27-13-5-8-20(15-27)18-6-4-7-19(14-18)22(28)26-16(2)17-9-11-21(24)12-10-17/h4,6-7,9-12,14,16,20H,3,5,8,13,15H2,1-2H3,(H,25,29)(H,26,28)/t16-,20+/m1/s1.
What are the key properties of (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide?
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide has a molecular weight of 397.49 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 92891102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).