N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride

C14H18ClF3N2OS — CID 119462479

IUPACN-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)21-12-5-3-11(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);1H
InChIKeyJHWYGMQPDVIXGT-UHFFFAOYSA-N
MW354.83 g/mol
LogP3.45
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride

N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride (PubChem CID 119462479) has the molecular formula C14H18ClF3N2OS and a molecular weight of 354.83 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
PubChem CID119462479
Molecular FormulaC14H18ClF3N2OS
Molecular Weight354.83 g/mol
Exact Mass354.08
IUPAC NameN-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CCCNC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)21-12-5-3-11(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);1H
InChIKeyJHWYGMQPDVIXGT-UHFFFAOYSA-N
XLogP3.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.83
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-piperidin-3-ylethyl)-4-(trifluoromethylsulfanyl)benzamide
CID 119557493
N-(piperidin-3-ylmethyl)-4-(trifluoromethyl)benzamide
CID 24701631
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032
4-(phenylsulfanylmethyl)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119464249
4-N,4-N-diethyl-1-N-(piperidin-3-ylmethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119463375
N-(piperidin-3-ylmethyl)-3,5-bis(trifluoromethyl)benzamide
CID 119461836
4-(dimethylamino)-N-(piperidin-3-ylmethyl)benzamide
CID 43329219
4-(phenylcarbamoylamino)-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462020
4-(difluoromethylsulfonyl)-N-(piperidin-3-ylmethyl)benzamide
CID 119461851
3-acetamido-4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461422
N-[[(3S)-piperidin-3-yl]methyl]-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 99776061

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride?
The IUPAC name of N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride (CID 119462479) is N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride?
The canonical SMILES for N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride is Cl.O=C(NCC1CCCNC1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride?
The InChIKey is JHWYGMQPDVIXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2OS.ClH/c15-14(16,17)21-12-5-3-11(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);1H.
What are the key properties of N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride?
N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride has a molecular weight of 354.83 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-4-(trifluoromethylsulfanyl)benzamide;hydrochloride is sourced from PubChem (CID 119462479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).