N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide

C21H26F6N2O — CID 123412557

IUPACN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(CC2CCCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H26F6N2O/c22-20(23,24)17-9-16(10-18(11-17)21(25,26)27)19(30)28-12-14-5-7-29(8-6-14)13-15-3-1-2-4-15/h9-11,14-15H,1-8,12-13H2,(H,28,30)
InChIKeyHCTQVGNSLBXVJQ-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.36
Rot. Bonds5

About N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide

N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 123412557) has the molecular formula C21H26F6N2O and a molecular weight of 436.44 g/mol. Its IUPAC name is N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID123412557
Molecular FormulaC21H26F6N2O
Molecular Weight436.44 g/mol
Exact Mass436.19
IUPAC NameN-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
SMILESO=C(NCC1CCN(CC2CCCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C21H26F6N2O/c22-20(23,24)17-9-16(10-18(11-17)21(25,26)27)19(30)28-12-14-5-7-29(8-6-14)13-15-3-1-2-4-15/h9-11,14-15H,1-8,12-13H2,(H,28,30)
InChIKeyHCTQVGNSLBXVJQ-UHFFFAOYSA-N
XLogP5.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzamide
CID 134422953
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
N-[[1-[2-(cyclohexylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(fluoromethyl)-5-(trifluoromethyl)benzamide
CID 67567698
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
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 44540145
3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 143903261
N-[[3-(cyclopentylmethyl)-3-azabicyclo[3.1.0]hexan-6-yl]methyl]-3-(trifluoromethyl)benzamide
CID 69471068
N-[[1-(2-methanimidoylcyclohexanecarbonyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 123488974
N-[[1-[2-(4-cyanopiperidin-1-yl)acetyl]piperidin-4-yl]methyl]-3-[difluoro(phosphanyl)methyl]-5-(trifluoromethyl)benzamide
CID 134423154
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
N-[[1-[2-(tert-butylamino)-2-oxoethyl]piperidin-4-yl]methyl]-3-(iodomethyl)-5-(trifluoromethyl)benzamide
CID 89410604

Frequently Asked Questions

What is the IUPAC name of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide (CID 123412557) is N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide is O=C(NCC1CCN(CC2CCCC2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is HCTQVGNSLBXVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F6N2O/c22-20(23,24)17-9-16(10-18(11-17)21(25,26)27)19(30)28-12-14-5-7-29(8-6-14)13-15-3-1-2-4-15/h9-11,14-15H,1-8,12-13H2,(H,28,30).
What are the key properties of N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide?
N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 436.44 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(cyclopentylmethyl)piperidin-4-yl]methyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 123412557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).