[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

C20H21F3N4O4S — CID 55728813

IUPAC[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C20H21F3N4O4S/c1-11(17(29)26-18-13(15(24)28)6-9-32-18)31-19(30)12-4-3-8-27(10-12)16-14(20(21,22)23)5-2-7-25-16/h2,5-7,9,11-12H,3-4,8,10H2,1H3,(H2,24,28)(H,26,29)
InChIKeyRSACSKQVTYYIQZ-UHFFFAOYSA-N
MW470.47 g/mol
LogP3.05
Rot. Bonds6

About [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate

[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (PubChem CID 55728813) has the molecular formula C20H21F3N4O4S and a molecular weight of 470.47 g/mol. Its IUPAC name is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.

Molecular Properties

Compound Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
PubChem CID55728813
Molecular FormulaC20H21F3N4O4S
Molecular Weight470.47 g/mol
Exact Mass470.12
IUPAC Name[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
SMILESCC(OC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C20H21F3N4O4S/c1-11(17(29)26-18-13(15(24)28)6-9-32-18)31-19(30)12-4-3-8-27(10-12)16-14(20(21,22)23)5-2-7-25-16/h2,5-7,9,11-12H,3-4,8,10H2,1H3,(H2,24,28)(H,26,29)
InChIKeyRSACSKQVTYYIQZ-UHFFFAOYSA-N
XLogP3.05
TPSA114.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-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

1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 47174336
[(2R)-1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] (3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 8953439
methyl 2-[[(3R)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbonyl]amino]-1,3-thiazole-5-carboxylate
CID 51955858
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55998880
N-(1-thiophen-3-ylpropan-2-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55974457
(3S)-N-[(2S)-2-methyl-3-(2-oxopyrrolidin-1-yl)propyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 95343584
N-benzyl-N-propan-2-yl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 55758731
(3R)-N-(4-aminocyclohexyl)-N-methyl-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 124686664
[2-[(4-ethylphenyl)methyl-methylamino]-2-oxoethyl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate
CID 55999687
N-[3-(difluoromethoxy)-4-methoxyphenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 46485215
(3S)-N-[(1R,2R)-2-methoxycyclohexyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 100700324

Frequently Asked Questions

What is the IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The IUPAC name of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate (CID 55728813) is [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate.
What is the SMILES notation for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The canonical SMILES for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is CC(OC(=O)C1CCCN(c2ncccc2C(F)(F)F)C1)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
The InChIKey is RSACSKQVTYYIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O4S/c1-11(17(29)26-18-13(15(24)28)6-9-32-18)31-19(30)12-4-3-8-27(10-12)16-14(20(21,22)23)5-2-7-25-16/h2,5-7,9,11-12H,3-4,8,10H2,1H3,(H2,24,28)(H,26,29).
What are the key properties of [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate?
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate has a molecular weight of 470.47 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxylate is sourced from PubChem (CID 55728813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).