1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C19H26F3N3O4S — CID 55394229

IUPAC1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1
InChIInChI=1S/C19H26F3N3O4S/c1-2-30(27,28)25-7-5-14(6-8-25)18(26)23-16-13-15(19(20,21)22)3-4-17(16)24-9-11-29-12-10-24/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)
InChIKeyHAMFXMVWMXXBMP-UHFFFAOYSA-N
MW449.50 g/mol
LogP2.54
Rot. Bonds5

About 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide

1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 55394229) has the molecular formula C19H26F3N3O4S and a molecular weight of 449.50 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID55394229
Molecular FormulaC19H26F3N3O4S
Molecular Weight449.50 g/mol
Exact Mass449.16
IUPAC Name1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1
InChIInChI=1S/C19H26F3N3O4S/c1-2-30(27,28)25-7-5-14(6-8-25)18(26)23-16-13-15(19(20,21)22)3-4-17(16)24-9-11-29-12-10-24/h3-4,13-14H,2,5-12H2,1H3,(H,23,26)
InChIKeyHAMFXMVWMXXBMP-UHFFFAOYSA-N
XLogP2.54
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.50
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 26873317
1-acetyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 108804445
2-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]butanamide
CID 51331092
1-butylsulfonyl-N-(2-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 55764759
3-methylsulfanyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]propanamide
CID 2541397
4-ethoxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2093034
1-[(4-methylphenyl)methyl]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 112791198
1-tert-butyl-3-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 78786583
4-[(2S)-butan-2-yl]oxy-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 40598598
N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide;dihydrochloride
CID 119828226
4-chloro-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 2121780
2-[bis(2-methylpropyl)amino]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55437577

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 55394229) is 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is HAMFXMVWMXXBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O4S/c1-2-30(27,28)25-7-5-14(6-8-25)18(26)23-16-13-15(19(20,21)22)3-4-17(16)24-9-11-29-12-10-24/h3-4,13-14H,2,5-12H2,1H3,(H,23,26).
What are the key properties of 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 449.50 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 55394229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).