N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide

C16H19F3N2O2 — CID 166176264

IUPACN-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
SMILESO=C(NC1CC1)c1cc(OC(F)(F)F)cc(C2CCNCC2)c1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)23-14-8-11(10-3-5-20-6-4-10)7-12(9-14)15(22)21-13-1-2-13/h7-10,13,20H,1-6H2,(H,21,22)
InChIKeyYSHISEMCKJDSJG-UHFFFAOYSA-N
MW328.33 g/mol
LogP2.94
Rot. Bonds4

About N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide

N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide (PubChem CID 166176264) has the molecular formula C16H19F3N2O2 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
PubChem CID166176264
Molecular FormulaC16H19F3N2O2
Molecular Weight328.33 g/mol
Exact Mass328.14
IUPAC NameN-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
SMILESO=C(NC1CC1)c1cc(OC(F)(F)F)cc(C2CCNCC2)c1
InChIInChI=1S/C16H19F3N2O2/c17-16(18,19)23-14-8-11(10-3-5-20-6-4-10)7-12(9-14)15(22)21-13-1-2-13/h7-10,13,20H,1-6H2,(H,21,22)
InChIKeyYSHISEMCKJDSJG-UHFFFAOYSA-N
XLogP2.94
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide
CID 166176272
3-piperidin-4-yl-N-propan-2-yl-5-(trifluoromethoxy)benzamide;hydrochloride
CID 166176261
N-cyclohexyl-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436170
N-cyclopentyl-4-piperidin-4-yl-2-(trifluoromethoxy)benzamide;hydrochloride
CID 166001185
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide
CID 165436163
3-methyl-N-(oxan-4-yl)-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436172
3-methyl-N-(1-methylpiperidin-4-yl)-5-piperidin-4-ylbenzamide
CID 165436175
N-[(3R)-pyrrolidin-3-yl]-4-[4-(trifluoromethoxy)phenyl]benzamide
CID 126431501
N-(3,3-difluorocyclobutyl)-3-methyl-5-piperidin-4-ylbenzamide;hydrochloride
CID 165436162
methyl 3-piperidin-4-yl-5-(trifluoromethyl)benzoate
CID 155804257
N-(azepan-3-yl)-4-(trifluoromethoxy)benzamide
CID 116629081
piperidin-4-yl-[4-(trifluoromethoxy)phenyl]methanone
CID 23081458

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
The IUPAC name of N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide (CID 166176264) is N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
The canonical SMILES for N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide is O=C(NC1CC1)c1cc(OC(F)(F)F)cc(C2CCNCC2)c1.
What is the InChIKey of N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
The InChIKey is YSHISEMCKJDSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O2/c17-16(18,19)23-14-8-11(10-3-5-20-6-4-10)7-12(9-14)15(22)21-13-1-2-13/h7-10,13,20H,1-6H2,(H,21,22).
What are the key properties of N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide?
N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide has a molecular weight of 328.33 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-piperidin-4-yl-5-(trifluoromethoxy)benzamide is sourced from PubChem (CID 166176264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).