N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide

C17H17F3N4O — CID 55705190

IUPACN-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-4-1-3-12(11-13)15(25)23-14-5-9-24(10-6-14)16-21-7-2-8-22-16/h1-4,7-8,11,14H,5-6,9-10H2,(H,23,25)
InChIKeyLBMANQACKKEKRI-UHFFFAOYSA-N
MW350.34 g/mol
LogP2.89
Rot. Bonds3

About N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide

N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide (PubChem CID 55705190) has the molecular formula C17H17F3N4O and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
PubChem CID55705190
Molecular FormulaC17H17F3N4O
Molecular Weight350.34 g/mol
Exact Mass350.14
IUPAC NameN-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide
SMILESO=C(NC1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4O/c18-17(19,20)13-4-1-3-12(11-13)15(25)23-14-5-9-24(10-6-14)16-21-7-2-8-22-16/h1-4,7-8,11,14H,5-6,9-10H2,(H,23,25)
InChIKeyLBMANQACKKEKRI-UHFFFAOYSA-N
XLogP2.89
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 51115669
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
3,4-dimethyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110712544
3-[[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 120549268
3-[[3-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 136525672
N-(4-aminocyclohexyl)-3-(trifluoromethyl)benzamide;hydrochloride
CID 119478233
3-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 66030146
3-methyl-N-[1-oxo-1-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]propan-2-yl]benzamide
CID 47061398
N-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 112804006
N-[1-(8-acetylquinazolin-5-yl)pyrrolidin-3-yl]-3-(trifluoromethyl)benzamide
CID 123225933
N-[(4R)-2-oxoazepan-4-yl]-3-(trifluoromethyl)benzamide
CID 18648125
N-[(3R,4R)-3-hydroxy-1-pyrazin-2-ylpiperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 91843932

Frequently Asked Questions

What is the IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide (CID 55705190) is N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide is O=C(NC1CCN(c2ncccn2)CC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
The InChIKey is LBMANQACKKEKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4O/c18-17(19,20)13-4-1-3-12(11-13)15(25)23-14-5-9-24(10-6-14)16-21-7-2-8-22-16/h1-4,7-8,11,14H,5-6,9-10H2,(H,23,25).
What are the key properties of N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide?
N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide has a molecular weight of 350.34 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyrimidin-2-ylpiperidin-4-yl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 55705190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).