5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid

C18H22F4N2O6S — CID 118110851

IUPAC5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CCCNC2)cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21FN2O4S.C2HF3O2/c1-24(21,22)19-16(20)13-7-12(10-4-5-10)15(8-14(13)17)23-11-3-2-6-18-9-11;3-2(4,5)1(6)7/h7-8,10-11,18H,2-6,9H2,1H3,(H,19,20);(H,6,7)
InChIKeyWNPSOKVPWJNVIB-UHFFFAOYSA-N
MW470.44 g/mol
LogP2.16
Rot. Bonds5

About 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid

5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid (PubChem CID 118110851) has the molecular formula C18H22F4N2O6S and a molecular weight of 470.44 g/mol. Its IUPAC name is 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid
PubChem CID118110851
Molecular FormulaC18H22F4N2O6S
Molecular Weight470.44 g/mol
Exact Mass470.11
IUPAC Name5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CCCNC2)cc1F.O=C(O)C(F)(F)F
InChIInChI=1S/C16H21FN2O4S.C2HF3O2/c1-24(21,22)19-16(20)13-7-12(10-4-5-10)15(8-14(13)17)23-11-3-2-6-18-9-11;3-2(4,5)1(6)7/h7-8,10-11,18H,2-6,9H2,1H3,(H,19,20);(H,6,7)
InChIKeyWNPSOKVPWJNVIB-UHFFFAOYSA-N
XLogP2.16
TPSA121.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.44
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic 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

5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[(3R)-1-[(2-phenylphenyl)methyl]piperidin-3-yl]oxybenzamide;2,2,2-trifluoroacetic acid
CID 118111371
tert-butyl 3-[2-cyclopropyl-5-fluoro-4-(methylsulfonylcarbamoyl)phenoxy]piperidine-1-carboxylate
CID 118353665
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]oxybenzamide;2,2,2-trifluoroacetic acid
CID 118111223
4-[1-[(4-tert-butylphenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110458
4-(2-bicyclo[2.2.1]heptanyloxy)-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 123723079
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[(3R)-1-[[3-(trifluoromethoxy)phenyl]methyl]piperidin-3-yl]oxybenzamide
CID 118111220
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(3R)-1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 91799678
5-cyclopropyl-4-[(3R)-1-[(2,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110681
5-cyclopropyl-4-[1-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]oxy-2-fluoro-N-methylsulfonylbenzamide
CID 118110875
3-fluoro-4-piperidin-3-yloxybenzoic acid
CID 117096713
4-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-3-yl]oxy-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118110695
5-cyclopropyl-2-fluoro-4-[(3R)-1-[(2-methoxy-4-methylphenyl)methyl]piperidin-3-yl]oxy-N-methylsulfonylbenzamide
CID 118359652

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid (CID 118110851) is 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2CCCNC2)cc1F.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid?
The InChIKey is WNPSOKVPWJNVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O4S.C2HF3O2/c1-24(21,22)19-16(20)13-7-12(10-4-5-10)15(8-14(13)17)23-11-3-2-6-18-9-11;3-2(4,5)1(6)7/h7-8,10-11,18H,2-6,9H2,1H3,(H,19,20);(H,6,7).
What are the key properties of 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid?
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid has a molecular weight of 470.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-piperidin-3-yloxybenzamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118110851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).