(3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide

C20H22F3N3O — CID 134242384

IUPAC(3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)NC2CC2)C1
InChIInChI=1S/C20H22F3N3O/c1-12-9-13(11-26(10-12)19(27)25-14-4-5-14)15-6-7-17(20(21,22)23)18-16(15)3-2-8-24-18/h2-3,6-8,12-14H,4-5,9-11H2,1H3,(H,25,27)/t12-,13+/m1/s1
InChIKeyDBBWIDAPCWHNHG-OLZOCXBDSA-N
MW377.41 g/mol
LogP4.55
Rot. Bonds2

About (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide

(3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide (PubChem CID 134242384) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide
PubChem CID134242384
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC Name(3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)NC2CC2)C1
InChIInChI=1S/C20H22F3N3O/c1-12-9-13(11-26(10-12)19(27)25-14-4-5-14)15-6-7-17(20(21,22)23)18-16(15)3-2-8-24-18/h2-3,6-8,12-14H,4-5,9-11H2,1H3,(H,25,27)/t12-,13+/m1/s1
InChIKeyDBBWIDAPCWHNHG-OLZOCXBDSA-N
XLogP4.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide?
The IUPAC name of (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide (CID 134242384) is (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide?
The canonical SMILES for (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide is C[C@@H]1C[C@H](c2ccc(C(F)(F)F)c3ncccc23)CN(C(=O)NC2CC2)C1.
What is the InChIKey of (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide?
The InChIKey is DBBWIDAPCWHNHG-OLZOCXBDSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-12-9-13(11-26(10-12)19(27)25-14-4-5-14)15-6-7-17(20(21,22)23)18-16(15)3-2-8-24-18/h2-3,6-8,12-14H,4-5,9-11H2,1H3,(H,25,27)/t12-,13+/m1/s1.
What are the key properties of (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide?
(3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-cyclopropyl-3-methyl-5-[8-(trifluoromethyl)quinolin-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 134242384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).