3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide

C16H21F3N2O — CID 165436228

IUPAC3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-2-5-21-15(22)13-8-12(11-3-6-20-7-4-11)9-14(10-13)16(17,18)19/h8-11,20H,2-7H2,1H3,(H,21,22)
InChIKeyOUMJBJIJTICOKR-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.31
Rot. Bonds4

About 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide

3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide (PubChem CID 165436228) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide
PubChem CID165436228
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide
SMILESCCCNC(=O)c1cc(C2CCNCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C16H21F3N2O/c1-2-5-21-15(22)13-8-12(11-3-6-20-7-4-11)9-14(10-13)16(17,18)19/h8-11,20H,2-7H2,1H3,(H,21,22)
InChIKeyOUMJBJIJTICOKR-UHFFFAOYSA-N
XLogP3.31
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 165436239
methyl 3-piperidin-4-yl-5-(trifluoromethyl)benzoate
CID 155804257
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
3-piperidin-4-yl-5-(trifluoromethyl)phenol;hydrochloride
CID 163197147
N-(cyclopropylmethyl)-3-fluoro-5-piperidin-4-ylbenzamide
CID 165436081
N-(2-piperazin-1-ylethyl)-3,5-bis(trifluoromethyl)benzamide;hydrochloride
CID 119446681
N-[2-(propylcarbamoyl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 134460179
N,N-dimethyl-3-piperidin-4-yl-5-(trifluoromethyl)aniline
CID 171391044
3-iodo-N-piperidin-4-yl-5-(trifluoromethyl)benzamide;hydrochloride
CID 119388602
N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
CID 166176264
3-(1,1-difluoropropyl)-N-[[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]methyl]-5-(trifluoromethyl)benzamide
CID 143903261
N-methyl-N-piperidin-4-yl-3,5-bis(trifluoromethyl)benzamide
CID 119442576

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide (CID 165436228) is 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide is CCCNC(=O)c1cc(C2CCNCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide?
The InChIKey is OUMJBJIJTICOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-2-5-21-15(22)13-8-12(11-3-6-20-7-4-11)9-14(10-13)16(17,18)19/h8-11,20H,2-7H2,1H3,(H,21,22).
What are the key properties of 3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide?
3-piperidin-4-yl-N-propyl-5-(trifluoromethyl)benzamide has a molecular weight of 314.35 g/mol, XLogP of 3.31, 4 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-propyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 165436228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).