3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C15H22ClFN2O — CID 119556963

IUPAC3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCC2CCCNC2)cc1F.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-11-4-5-13(9-14(11)16)15(19)18-8-6-12-3-2-7-17-10-12;/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19);1H
InChIKeyQKLXVYFBTJZRIN-UHFFFAOYSA-N
MW300.81 g/mol
LogP2.68
Rot. Bonds4

About 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119556963) has the molecular formula C15H22ClFN2O and a molecular weight of 300.81 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119556963
Molecular FormulaC15H22ClFN2O
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCc1ccc(C(=O)NCCC2CCCNC2)cc1F.Cl
InChIInChI=1S/C15H21FN2O.ClH/c1-11-4-5-13(9-14(11)16)15(19)18-8-6-12-3-2-7-17-10-12;/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19);1H
InChIKeyQKLXVYFBTJZRIN-UHFFFAOYSA-N
XLogP2.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.81
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
4-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554925
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
4-N-(2,2-dimethylpropyl)-1-N-(2-piperidin-3-ylethyl)benzene-1,4-dicarboxamide;hydrochloride
CID 119558369
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
N-(2-piperidin-3-ylethyl)-3,4-dipropoxybenzamide;hydrochloride
CID 119558696

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119556963) is 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cc1ccc(C(=O)NCCC2CCCNC2)cc1F.Cl.
What is the InChIKey of 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is QKLXVYFBTJZRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O.ClH/c1-11-4-5-13(9-14(11)16)15(19)18-8-6-12-3-2-7-17-10-12;/h4-5,9,12,17H,2-3,6-8,10H2,1H3,(H,18,19);1H.
What are the key properties of 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 300.81 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119556963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).