3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride

C15H17ClF6N2O — CID 165436239

IUPAC3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)c1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O.ClH/c16-14(17,18)8-23-13(24)11-5-10(9-1-3-22-4-2-9)6-12(7-11)15(19,20)21;/h5-7,9,22H,1-4,8H2,(H,23,24);1H
InChIKeySFVUEGCHIIHYFP-UHFFFAOYSA-N
MW390.76 g/mol
LogP3.89
Rot. Bonds3

About 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride

3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 165436239) has the molecular formula C15H17ClF6N2O and a molecular weight of 390.76 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
PubChem CID165436239
Molecular FormulaC15H17ClF6N2O
Molecular Weight390.76 g/mol
Exact Mass390.09
IUPAC Name3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC(F)(F)F)c1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C15H16F6N2O.ClH/c16-14(17,18)8-23-13(24)11-5-10(9-1-3-22-4-2-9)6-12(7-11)15(19,20)21;/h5-7,9,22H,1-4,8H2,(H,23,24);1H
InChIKeySFVUEGCHIIHYFP-UHFFFAOYSA-N
XLogP3.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.76
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide
CID 165436228
methyl 3-piperidin-4-yl-5-(trifluoromethyl)benzoate
CID 155804257
3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride
CID 163197147
N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
CID 165436081
4-cyclohexyl-N-(2,2,2-trifluoroethyl)benzamide
CID 8900200
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119388602
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
3-piperidin-4-yl-N-propan-2-yl-5-(trifluoromethoxy)benzamide;hydrochloride
CID 166176261
N-[(5-cyclopropyl-3-pyridinyl)methyl]-3,5-bis(trifluoromethyl)benzamide
CID 122246902
N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline
CID 171391044
N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
CID 166176264

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride (CID 165436239) is 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NCC(F)(F)F)c1cc(C2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is SFVUEGCHIIHYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F6N2O.ClH/c16-14(17,18)8-23-13(24)11-5-10(9-1-3-22-4-2-9)6-12(7-11)15(19,20)21;/h5-7,9,22H,1-4,8H2,(H,23,24);1H.
What are the key properties of 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride?
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 390.76 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 165436239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).