ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate

C21H22F3N3O3 — CID 135126252

IUPACethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C21H22F3N3O3/c1-2-30-19(28)15-3-8-18(25-13-15)14-9-11-27(12-10-14)20(29)26-17-6-4-16(5-7-17)21(22,23)24/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)
InChIKeyVCNLOXQPKDKARB-UHFFFAOYSA-N
MW421.42 g/mol
LogP4.69
Rot. Bonds4

About ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate

ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate (PubChem CID 135126252) has the molecular formula C21H22F3N3O3 and a molecular weight of 421.42 g/mol. Its IUPAC name is ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
PubChem CID135126252
Molecular FormulaC21H22F3N3O3
Molecular Weight421.42 g/mol
Exact Mass421.16
IUPAC Nameethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1
InChIInChI=1S/C21H22F3N3O3/c1-2-30-19(28)15-3-8-18(25-13-15)14-9-11-27(12-10-14)20(29)26-17-6-4-16(5-7-17)21(22,23)24/h3-8,13-14H,2,9-12H2,1H3,(H,26,29)
InChIKeyVCNLOXQPKDKARB-UHFFFAOYSA-N
XLogP4.69
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate 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

ethyl 4-(4-phenoxyphenyl)-2-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-1,3-thiazole-5-carboxylate
CID 130434240
3-(4-cyclopropyltriazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 121190700
4-(6,7-dimethoxyquinazolin-4-yl)-N-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 58770728
tert-butyl 4-[(4-ethoxycarbonylphenyl)carbamoyl]piperazine-1-carboxylate
CID 46743132
ethyl 6-[4-[(4-methoxyphenyl)carbamoyl]-1,4-diazepan-1-yl]pyridine-3-carboxylate
CID 51128296
ethyl 4-[[4-[2-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-[[4-(trifluoromethyl)phenyl]carbamoyl]amino]ethyl]piperazine-1-carbonyl]amino]benzoate
CID 42725086
N-(4-ethoxyphenyl)-4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 122176304
ethyl 4-[4-[(4-fluorophenyl)carbamoyl]piperazin-1-yl]benzoate
CID 113112811
ethyl 4-[[4-(3,5-dichloro-4-pyridinyl)piperazine-1-carbonyl]amino]benzoate
CID 3363290
ethyl 4-[(4-pentylpiperazine-1-carbonyl)amino]benzoate
CID 17185017
ethyl 4-[[3-(trifluoromethyl)phenyl]carbamoyl]piperazine-1-carboxylate
CID 3784054
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate (CID 135126252) is ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate is CCOC(=O)c1ccc(C2CCN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)nc1.
What is the InChIKey of ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate?
The InChIKey is VCNLOXQPKDKARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N3O3/c1-2-30-19(28)15-3-8-18(25-13-15)14-9-11-27(12-10-14)20(29)26-17-6-4-16(5-7-17)21(22,23)24/h3-8,13-14H,2,9-12H2,1H3,(H,26,29).
What are the key properties of ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate?
ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate has a molecular weight of 421.42 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate is sourced from PubChem (CID 135126252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).