2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride

C16H23Cl2N3O2 — CID 119718978

IUPAC2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
SMILESCN(C)C(=O)c1cc(NC(=O)CC2CCNCC2)ccc1Cl.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-20(2)16(22)13-10-12(3-4-14(13)17)19-15(21)9-11-5-7-18-8-6-11;/h3-4,10-11,18H,5-9H2,1-2H3,(H,19,21);1H
InChIKeyMLHKIEPXBGYXPT-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.79
Rot. Bonds4

About 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride

2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride (PubChem CID 119718978) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
PubChem CID119718978
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride
SMILESCN(C)C(=O)c1cc(NC(=O)CC2CCNCC2)ccc1Cl.Cl
InChIInChI=1S/C16H22ClN3O2.ClH/c1-20(2)16(22)13-10-12(3-4-14(13)17)19-15(21)9-11-5-7-18-8-6-11;/h3-4,10-11,18H,5-9H2,1-2H3,(H,19,21);1H
InChIKeyMLHKIEPXBGYXPT-UHFFFAOYSA-N
XLogP2.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
N-(3-chloro-4-methoxyphenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119675615
2-chloro-4-[(2-piperidin-4-ylacetyl)amino]benzamide
CID 61030452
2-chloro-N,N-dimethyl-5-[[2-(methylamino)acetyl]amino]benzamide;hydrochloride
CID 119718973
N-(3,4-dichlorophenyl)-2-[methyl(piperidin-4-ylmethyl)amino]acetamide;hydrochloride
CID 119929550
2-chloro-5-(3,3-dimethylbutanoylamino)-N-methyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119554824
(3S)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 81118449
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79378598
methyl 2-chloro-5-[(2-piperidin-3-ylacetyl)amino]benzoate
CID 62676837
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119718961

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride?
The IUPAC name of 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride (CID 119718978) is 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride is CN(C)C(=O)c1cc(NC(=O)CC2CCNCC2)ccc1Cl.Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride?
The InChIKey is MLHKIEPXBGYXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2.ClH/c1-20(2)16(22)13-10-12(3-4-14(13)17)19-15(21)9-11-5-7-18-8-6-11;/h3-4,10-11,18H,5-9H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride?
2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-[(2-piperidin-4-ylacetyl)amino]benzamide;hydrochloride is sourced from PubChem (CID 119718978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).