N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide

C14H17F3N2O — CID 24701631

IUPACN-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-3-11(4-6-12)13(20)19-9-10-2-1-7-18-8-10/h3-6,10,18H,1-2,7-9H2,(H,19,20)
InChIKeyGLZURLOBEWKYCM-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.43
Rot. Bonds3

About N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide

N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide (PubChem CID 24701631) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
PubChem CID24701631
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
SMILESO=C(NCC1CCCNC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)12-5-3-11(4-6-12)13(20)19-9-10-2-1-7-18-8-10/h3-6,10,18H,1-2,7-9H2,(H,19,20)
InChIKeyGLZURLOBEWKYCM-UHFFFAOYSA-N
XLogP2.43
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
CID 119462479
3-fluoro-N-[[(3R)-piperidin-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 99849672
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
N-[[(3S)-piperidin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99776061
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
N-[(4-hydroxycyclohexyl)methyl]-4-(trifluoromethyl)benzamide
CID 106124320
4-iodo-N-(pyrrolidin-3-ylmethyl)benzamide
CID 80564144

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide (CID 24701631) is N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide is O=C(NCC1CCCNC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is GLZURLOBEWKYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)12-5-3-11(4-6-12)13(20)19-9-10-2-1-7-18-8-10/h3-6,10,18H,1-2,7-9H2,(H,19,20).
What are the key properties of N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide?
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 24701631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).