(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride

C19H26ClF3N2O — CID 120624126

About (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120624126) has the molecular formula C19H26ClF3N2O and a molecular weight of 390.88 g/mol. Its IUPAC name is (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
• PubChem CID: 120624126
• Molecular Formula: C19H26ClF3N2O
• Molecular Weight: 390.88 g/mol
• Exact Mass: 390.17
• IUPAC Name: (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
• SMILES: CC(c1cccc(C(F)(F)F)c1)N(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl
• InChI: InChI=1S/C19H25F3N2O.ClH/c1-12-10-15(8-9-23-12)18(25)24(17-6-7-17)13(2)14-4-3-5-16(11-14)19(20,21)22;/h3-5,11-13,15,17,23H,6-10H2,1-2H3;1H/t12-,13?,15-;/m0./s1
• InChIKey: GIARLCWDYPQKLT-UULGMRNZSA-N
• XLogP: 4.57
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.88
LogP ≤ 5	4.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?

The IUPAC name of (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride (CID 120624126) is (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?

The canonical SMILES for (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is CC(c1cccc(C(F)(F)F)c1)N(C(=O)[C@H]1CCN[C@@H](C)C1)C1CC1.Cl.

What is the InChIKey of (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?

The InChIKey is GIARLCWDYPQKLT-UULGMRNZSA-N. The full InChI is InChI=1S/C19H25F3N2O.ClH/c1-12-10-15(8-9-23-12)18(25)24(17-6-7-17)13(2)14-4-3-5-16(11-14)19(20,21)22;/h3-5,11-13,15,17,23H,6-10H2,1-2H3;1H/t12-,13?,15-;/m0./s1.

What are the key properties of (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride?

(2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 390.88 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,4S)-N-cyclopropyl-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120624126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).