3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

C15H21ClF2N2O2 — CID 119555759

IUPAC3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-13-5-1-4-12(9-13)14(20)19-8-6-11-3-2-7-18-10-11;/h1,4-5,9,11,15,18H,2-3,6-8,10H2,(H,19,20);1H
InChIKeyMDYDPOJAMCGACG-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.83
Rot. Bonds6

About 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride

3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119555759) has the molecular formula C15H21ClF2N2O2 and a molecular weight of 334.79 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119555759
Molecular FormulaC15H21ClF2N2O2
Molecular Weight334.79 g/mol
Exact Mass334.13
IUPAC Name3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCl.O=C(NCCC1CCCNC1)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-13-5-1-4-12(9-13)14(20)19-8-6-11-3-2-7-18-10-11;/h1,4-5,9,11,15,18H,2-3,6-8,10H2,(H,19,20);1H
InChIKeyMDYDPOJAMCGACG-UHFFFAOYSA-N
XLogP2.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-iodo-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119555518
1-N-methyl-3-N-(2-piperidin-3-ylethyl)benzene-1,3-dicarboxamide
CID 119559534
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
3-nitro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628022
2,6-difluoro-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119554934
N-(2-piperidin-3-ylethyl)-3-(sulfamoylmethyl)benzamide;hydrochloride
CID 119555848
2-(3-fluorophenoxy)-N-(2-piperidin-3-ylethyl)propanamide;hydrochloride
CID 119556344
3-fluoro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556963
4-methoxy-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119556793
5-chloro-2-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide
CID 119556038
3-(cyclopropylmethylsulfamoyl)-N-(2-piperidin-3-ylethyl)benzamide
CID 119558611
3-fluoro-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628909

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119555759) is 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is Cl.O=C(NCCC1CCCNC1)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is MDYDPOJAMCGACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2.ClH/c16-15(17)21-13-5-1-4-12(9-13)14(20)19-8-6-11-3-2-7-18-10-11;/h1,4-5,9,11,15,18H,2-3,6-8,10H2,(H,19,20);1H.
What are the key properties of 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride?
3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 334.79 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-(2-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119555759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).