2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

C14H19Cl3N2O — CID 119473892

IUPAC2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C1CCCNC1.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-9(10-4-3-7-17-8-10)18-14(19)11-5-2-6-12(15)13(11)16;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyWOQWVERPJXRYHE-UHFFFAOYSA-N
MW337.68 g/mol
LogP3.53
Rot. Bonds3

About 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride

2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (PubChem CID 119473892) has the molecular formula C14H19Cl3N2O and a molecular weight of 337.68 g/mol. Its IUPAC name is 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
PubChem CID119473892
Molecular FormulaC14H19Cl3N2O
Molecular Weight337.68 g/mol
Exact Mass336.06
IUPAC Name2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
SMILESCC(NC(=O)c1cccc(Cl)c1Cl)C1CCCNC1.Cl
InChIInChI=1S/C14H18Cl2N2O.ClH/c1-9(10-4-3-7-17-8-10)18-14(19)11-5-2-6-12(15)13(11)16;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H
InChIKeyWOQWVERPJXRYHE-UHFFFAOYSA-N
XLogP3.53
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.68
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(1-piperidin-3-ylethyl)benzamide
CID 62034679
2,3-difluoro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride
CID 119474254
N-(1-piperidin-3-ylethyl)naphthalene-1-carboxamide
CID 43523096
2-hydroxy-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523069
2-iodo-3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 103806068
N-(1-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide;hydrochloride
CID 119473992
5-chloro-2-iodo-N-(1-piperidin-3-ylethyl)benzamide
CID 103806067
3-methyl-N-(1-piperidin-3-ylethyl)benzamide
CID 43523133
4-methyl-N-(1-piperidin-3-ylethyl)thiophene-3-carboxamide;hydrochloride
CID 119473981
2-(2-chloro-6-fluorophenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046898
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2-fluoro-6-hydroxy-N-(1-piperidin-3-ylethyl)benzamide
CID 107014712

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The IUPAC name of 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride (CID 119473892) is 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride.
What is the SMILES notation for 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The canonical SMILES for 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is CC(NC(=O)c1cccc(Cl)c1Cl)C1CCCNC1.Cl.
What is the InChIKey of 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
The InChIKey is WOQWVERPJXRYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O.ClH/c1-9(10-4-3-7-17-8-10)18-14(19)11-5-2-6-12(15)13(11)16;/h2,5-6,9-10,17H,3-4,7-8H2,1H3,(H,18,19);1H.
What are the key properties of 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride?
2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride has a molecular weight of 337.68 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(1-piperidin-3-ylethyl)benzamide;hydrochloride is sourced from PubChem (CID 119473892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).