2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride

C12H15Cl3N2O — CID 119428069

IUPAC2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O.ClH/c13-9-4-1-5-10(14)11(9)12(17)16-8-3-2-6-15-7-8;/h1,4-5,8,15H,2-3,6-7H2,(H,16,17);1H
InChIKeyKKHSILMMOXUKEX-UHFFFAOYSA-N
MW309.62 g/mol
LogP2.90
Rot. Bonds2

About 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride

2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride (PubChem CID 119428069) has the molecular formula C12H15Cl3N2O and a molecular weight of 309.62 g/mol. Its IUPAC name is 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
PubChem CID119428069
Molecular FormulaC12H15Cl3N2O
Molecular Weight309.62 g/mol
Exact Mass308.02
IUPAC Name2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride
SMILESCl.O=C(NC1CCCNC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H14Cl2N2O.ClH/c13-9-4-1-5-10(14)11(9)12(17)16-8-3-2-6-15-7-8;/h1,4-5,8,15H,2-3,6-7H2,(H,16,17);1H
InChIKeyKKHSILMMOXUKEX-UHFFFAOYSA-N
XLogP2.90
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dimethyl-N-piperidin-3-ylbenzamide
CID 114025985
2,3-dichloro-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79688100
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
N-piperidin-3-ylbenzamide
CID 22017045
3-chloro-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426938
2,3,4,5,6-pentafluoro-N-[(3S)-piperidin-3-yl]benzamide
CID 104982388
2,3-difluoro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119428838
1-(2-chlorophenyl)-3-[(3R)-piperidin-3-yl]urea
CID 113436699
3-chloro-N-piperidin-3-ylpyridine-4-carboxamide;dihydrochloride
CID 119426879
N-(azepan-4-yl)-2,6-dihydroxybenzamide
CID 107690520
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2,6-dichloro-N-(6-oxopiperidin-3-yl)benzamide
CID 55246624

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride?
The IUPAC name of 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride (CID 119428069) is 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride.
What is the SMILES notation for 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride?
The canonical SMILES for 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride is Cl.O=C(NC1CCCNC1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride?
The InChIKey is KKHSILMMOXUKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O.ClH/c13-9-4-1-5-10(14)11(9)12(17)16-8-3-2-6-15-7-8;/h1,4-5,8,15H,2-3,6-7H2,(H,16,17);1H.
What are the key properties of 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride?
2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride has a molecular weight of 309.62 g/mol, XLogP of 2.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-piperidin-3-ylbenzamide;hydrochloride is sourced from PubChem (CID 119428069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).