(3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

C20H19ClF6N4O — CID 146233508

IUPAC(3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C20H19ClF6N4O/c21-15-10-16(30-18(29-15)20(25,26)27)31-9-1-2-13(11-31)17(32)28-8-7-12-3-5-14(6-4-12)19(22,23)24/h3-6,10,13H,1-2,7-9,11H2,(H,28,32)/t13-/m1/s1
InChIKeyYQDSXYHYFWZCJD-CYBMUJFWSA-N
MW480.84 g/mol
LogP4.74
Rot. Bonds5

About (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide

(3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (PubChem CID 146233508) has the molecular formula C20H19ClF6N4O and a molecular weight of 480.84 g/mol. Its IUPAC name is (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
PubChem CID146233508
Molecular FormulaC20H19ClF6N4O
Molecular Weight480.84 g/mol
Exact Mass480.12
IUPAC Name(3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1
InChIInChI=1S/C20H19ClF6N4O/c21-15-10-16(30-18(29-15)20(25,26)27)31-9-1-2-13(11-31)17(32)28-8-7-12-3-5-14(6-4-12)19(22,23)24/h3-6,10,13H,1-2,7-9,11H2,(H,28,32)/t13-/m1/s1
InChIKeyYQDSXYHYFWZCJD-CYBMUJFWSA-N
XLogP4.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.84
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-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

(3R)-N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90654587
1-(4,6-dimethylpyrimidin-2-yl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 3224241
1-[2-methyl-6-(methylamino)-4-pyrimidinyl]-N-{[2-(trifluoromethyl)phenyl]methyl}-4-piperidinecarboxamide
CID 44188851
(3R)-N-[2-(4-cyanophenyl)ethyl]-1-[2-(trifluoromethyl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90654582
(3R)-N-[2-(4-cyanophenyl)ethyl]-1-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 90654586
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid [2-(4-fluoro-phenyl)-ethyl]-amide
CID 647754
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid 3-trifluoromethyl-benzylamide
CID 648377
1-Pyrimidin-2-yl-piperidine-3-carboxylic acid 3-trifluoromethyl-benzylamide
CID 649301
1-(4,6-Dimethyl-pyrimidin-2-yl)-piperidine-3-carboxylic acid [2-(3-fluoro-phenyl)-ethyl]-amide
CID 651412
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 1452520
N-[2-(4-chlorophenyl)ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 3223370
(2S)-N-[2-(4-cyanophenyl)ethyl]-1-[6-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 90654564

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide (CID 146233508) is (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is O=C(NCCc1ccc(C(F)(F)F)cc1)[C@@H]1CCCN(c2cc(Cl)nc(C(F)(F)F)n2)C1.
What is the InChIKey of (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
The InChIKey is YQDSXYHYFWZCJD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19ClF6N4O/c21-15-10-16(30-18(29-15)20(25,26)27)31-9-1-2-13(11-31)17(32)28-8-7-12-3-5-14(6-4-12)19(22,23)24/h3-6,10,13H,1-2,7-9,11H2,(H,28,32)/t13-/m1/s1.
What are the key properties of (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide?
(3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide has a molecular weight of 480.84 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 146233508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).