2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid

C19H21F3N4O3 — CID 143831234

IUPAC2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C2NC=CC=C2C(=O)O)CC1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)12-3-5-13(6-4-12)24-18(29)25-14-7-10-26(11-8-14)16-15(17(27)28)2-1-9-23-16/h1-6,9,14,16,23H,7-8,10-11H2,(H,27,28)(H2,24,25,29)
InChIKeyACLWAQJQUQBPBQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP2.75
Rot. Bonds4

About 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid

2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid (PubChem CID 143831234) has the molecular formula C19H21F3N4O3 and a molecular weight of 410.40 g/mol. Its IUPAC name is 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid
PubChem CID143831234
Molecular FormulaC19H21F3N4O3
Molecular Weight410.40 g/mol
Exact Mass410.16
IUPAC Name2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C2NC=CC=C2C(=O)O)CC1
InChIInChI=1S/C19H21F3N4O3/c20-19(21,22)12-3-5-13(6-4-12)24-18(29)25-14-7-10-26(11-8-14)16-15(17(27)28)2-1-9-23-16/h1-6,9,14,16,23H,7-8,10-11H2,(H,27,28)(H2,24,25,29)
InChIKeyACLWAQJQUQBPBQ-UHFFFAOYSA-N
XLogP2.75
TPSA93.70 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid 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

4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 154114146
1-(1-tert-butylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 68609241
1-(5-methylpiperidin-3-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107585253
1-(azepan-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 107172652
1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 24899022
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
1-(4-fluorophenyl)-3-[(3R)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]urea
CID 99874842
1-cyclopropyl-3-(4-fluorophenyl)urea
CID 840492
1-(4-nitrosophenyl)-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 144808234
1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458
N-cyclopentyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 18588731
N-cyclopropyl-4-(cyclopropylcarbamoylamino)benzamide
CID 17180568

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid?
The IUPAC name of 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid (CID 143831234) is 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid is O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCN(C2NC=CC=C2C(=O)O)CC1.
What is the InChIKey of 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid?
The InChIKey is ACLWAQJQUQBPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N4O3/c20-19(21,22)12-3-5-13(6-4-12)24-18(29)25-14-7-10-26(11-8-14)16-15(17(27)28)2-1-9-23-16/h1-6,9,14,16,23H,7-8,10-11H2,(H,27,28)(H2,24,25,29).
What are the key properties of 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid?
2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid has a molecular weight of 410.40 g/mol, XLogP of 2.75, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]piperidin-1-yl]-1,2-dihydropyridine-3-carboxylic acid is sourced from PubChem (CID 143831234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).