(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C24H35F3N4O2 — CID 11912520

IUPAC(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C24H35F3N4O2/c1-2-18-17-31(23(33)29-21-8-6-7-20(16-21)24(25,26)27)13-9-19(18)15-22(32)28-10-14-30-11-4-3-5-12-30/h6-8,16,18-19H,2-5,9-15,17H2,1H3,(H,28,32)(H,29,33)/t18-,19-/m0/s1
InChIKeyQZLMCCOGZMUPPE-OALUTQOASA-N
MW468.56 g/mol
LogP4.58
Rot. Bonds7

About (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide

(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 11912520) has the molecular formula C24H35F3N4O2 and a molecular weight of 468.56 g/mol. Its IUPAC name is (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID11912520
Molecular FormulaC24H35F3N4O2
Molecular Weight468.56 g/mol
Exact Mass468.27
IUPAC Name(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCCN1CCCCC1
InChIInChI=1S/C24H35F3N4O2/c1-2-18-17-31(23(33)29-21-8-6-7-20(16-21)24(25,26)27)13-9-19(18)15-22(32)28-10-14-30-11-4-3-5-12-30/h6-8,16,18-19H,2-5,9-15,17H2,1H3,(H,28,32)(H,29,33)/t18-,19-/m0/s1
InChIKeyQZLMCCOGZMUPPE-OALUTQOASA-N
XLogP4.58
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 11912520) is (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCCN1CCCCC1.
What is the InChIKey of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is QZLMCCOGZMUPPE-OALUTQOASA-N. The full InChI is InChI=1S/C24H35F3N4O2/c1-2-18-17-31(23(33)29-21-8-6-7-20(16-21)24(25,26)27)13-9-19(18)15-22(32)28-10-14-30-11-4-3-5-12-30/h6-8,16,18-19H,2-5,9-15,17H2,1H3,(H,28,32)(H,29,33)/t18-,19-/m0/s1.
What are the key properties of (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
(3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-ethyl-4-[2-oxo-2-(2-piperidin-1-ylethylamino)ethyl]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 11912520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).