2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C16H24ClFN2O3 — CID 119555478

IUPAC2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(F)c(C(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-21-14-8-12(13(17)9-15(14)22-2)16(20)19-7-5-11-4-3-6-18-10-11;/h8-9,11,18H,3-7,10H2,1-2H3,(H,19,20);1H
InChIKeyFDRUSSZSHKYCMD-UHFFFAOYSA-N
MW346.83 g/mol
LogP2.38
Rot. Bonds6

About 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119555478) has the molecular formula C16H24ClFN2O3 and a molecular weight of 346.83 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119555478
Molecular FormulaC16H24ClFN2O3
Molecular Weight346.83 g/mol
Exact Mass346.15
IUPAC Name2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCOc1cc(F)c(C(=O)NCCC2CCCNC2)cc1OC.Cl
InChIInChI=1S/C16H23FN2O3.ClH/c1-21-14-8-12(13(17)9-15(14)22-2)16(20)19-7-5-11-4-3-6-18-10-11;/h8-9,11,18H,3-7,10H2,1-2H3,(H,19,20);1H
InChIKeyFDRUSSZSHKYCMD-UHFFFAOYSA-N
XLogP2.38
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119557335
2,4-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide
CID 60894812
5-fluoro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537854
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
2,3,5,6-tetrafluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555428
N-(2-piperidin-3-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
CID 119558452
5-fluoro-2-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 55144401
2,3,4-trifluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 79749359
3-methoxy-N-(2-piperidin-3-ylethyl)-4-prop-2-enoxybenzamide;hydrochloride
CID 119558587
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
4-chloro-2-methoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63630238

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119555478) is 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is COc1cc(F)c(C(=O)NCCC2CCCNC2)cc1OC.Cl.
What is the InChIKey of 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is FDRUSSZSHKYCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O3.ClH/c1-21-14-8-12(13(17)9-15(14)22-2)16(20)19-7-5-11-4-3-6-18-10-11;/h8-9,11,18H,3-7,10H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 346.83 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119555478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).