2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate

C19H25F3N2O5S — CID 23642055

IUPAC2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H25F3N2O5S/c1-28-11-12-29-18(25)23-9-7-16(8-10-23)24(15-5-6-15)30(26,27)17-4-2-3-14(13-17)19(20,21)22/h2-4,13,15-16H,5-12H2,1H3
InChIKeyQIXXQCCRESCKNN-UHFFFAOYSA-N
MW450.48 g/mol
LogP3.11
Rot. Bonds7

About 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate

2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate (PubChem CID 23642055) has the molecular formula C19H25F3N2O5S and a molecular weight of 450.48 g/mol. Its IUPAC name is 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
PubChem CID23642055
Molecular FormulaC19H25F3N2O5S
Molecular Weight450.48 g/mol
Exact Mass450.14
IUPAC Name2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate
SMILESCOCCOC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C19H25F3N2O5S/c1-28-11-12-29-18(25)23-9-7-16(8-10-23)24(15-5-6-15)30(26,27)17-4-2-3-14(13-17)19(20,21)22/h2-4,13,15-16H,5-12H2,1H3
InChIKeyQIXXQCCRESCKNN-UHFFFAOYSA-N
XLogP3.11
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-2-methylpropanoate
CID 59614786
N-cyclopropyl-N-[1-(4,4-difluorocyclohexanecarbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23642157
methyl 2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]benzoate
CID 25235371
N-cyclopropyl-N-[1-(quinoxaline-6-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 23641673
N-cyclopropyl-N-[1-[2-(methylamino)-3-(3-methylphenyl)propanoyl]piperidin-4-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 68984680
N-[(3S)-1-(3-amino-5-methylhexanoyl)piperidin-3-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide
CID 24877270
2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 24883189
N-cyclopropyl-N-[1-(5-fluoro-2-methylsulfonylbenzoyl)azetidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 72544206
N-[2-[4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]-N-phenyl-3,5-bis(trifluoromethyl)benzamide
CID 25235462
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715
N-[1-(azetidine-3-carbonyl)piperidin-4-yl]-N-propan-2-yl-3-(trifluoromethyl)benzenesulfonamide
CID 24882798
4,4-bis(4-fluorophenyl)but-3-enoic acid;N-[1-[4,4-bis(4-fluorophenyl)but-3-enoyl]piperidin-4-yl]-N-cyclopropyl-3-(trifluoromethyl)benzenesulfonamide;N-cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 160753308

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The IUPAC name of 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate (CID 23642055) is 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate is COCCOC(=O)N1CCC(N(C2CC2)S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
The InChIKey is QIXXQCCRESCKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F3N2O5S/c1-28-11-12-29-18(25)23-9-7-16(8-10-23)24(15-5-6-15)30(26,27)17-4-2-3-14(13-17)19(20,21)22/h2-4,13,15-16H,5-12H2,1H3.
What are the key properties of 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate?
2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate has a molecular weight of 450.48 g/mol, XLogP of 3.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-[cyclopropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]piperidine-1-carboxylate is sourced from PubChem (CID 23642055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).