3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide

C22H30F5N3O2 — CID 143903261

IUPAC3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESCCCNC(=O)CN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)CC)c2)CC1
InChIInChI=1S/C22H30F5N3O2/c1-3-7-28-19(31)14-30-8-5-15(6-9-30)13-29-20(32)16-10-17(21(23,24)4-2)12-18(11-16)22(25,26)27/h10-12,15H,3-9,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyWNANISYXQSLBQK-UHFFFAOYSA-N
MW463.49 g/mol
LogP4.18
Rot. Bonds9

About 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide

3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide (PubChem CID 143903261) has the molecular formula C22H30F5N3O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
PubChem CID143903261
Molecular FormulaC22H30F5N3O2
Molecular Weight463.49 g/mol
Exact Mass463.23
IUPAC Name3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
SMILESCCCNC(=O)CN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)CC)c2)CC1
InChIInChI=1S/C22H30F5N3O2/c1-3-7-28-19(31)14-30-8-5-15(6-9-30)13-29-20(32)16-10-17(21(23,24)4-2)12-18(11-16)22(25,26)27/h10-12,15H,3-9,13-14H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyWNANISYXQSLBQK-UHFFFAOYSA-N
XLogP4.18
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123412557
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(iodomethyl)-5-(trifluoromethyl)benzamide
CID 89410604
3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
CID 67567698
3-[4-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]ethenylamino]methyl]piperidin-1-yl]-N-propylprop-1-en-2-amine
CID 89119698
N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 60598298
3-iodo-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 86886749
3,5-dichloro-N-[[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-4-yl]methyl]benzamide
CID 170152750
N-[[1-[2-(4-cyanopiperidin-1-yl)acetyl]piperidin-4-yl]methyl]-3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)benzamide
CID 134423154
N-(2-methoxyethyl)-2-[4-(propylaminomethyl)piperidin-1-yl]acetamide
CID 55258549
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide (CID 143903261) is 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide is CCCNC(=O)CN1CCC(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)CC)c2)CC1.
What is the InChIKey of 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
The InChIKey is WNANISYXQSLBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F5N3O2/c1-3-7-28-19(31)14-30-8-5-15(6-9-30)13-29-20(32)16-10-17(21(23,24)4-2)12-18(11-16)22(25,26)27/h10-12,15H,3-9,13-14H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide?
3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide has a molecular weight of 463.49 g/mol, XLogP of 4.18, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 143903261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).