4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride

C15H24Cl3N3O — CID 119851476

IUPAC4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)c1ccc(N)cc1Cl.Cl.Cl
InChIInChI=1S/C15H22ClN3O.2ClH/c1-11(10-19-7-3-2-4-8-19)18-15(20)13-6-5-12(17)9-14(13)16;;/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20);2*1H
InChIKeyAYIGTMLSOGUPLC-UHFFFAOYSA-N
MW368.74 g/mol
LogP3.37
Rot. Bonds4

About 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride

4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride (PubChem CID 119851476) has the molecular formula C15H24Cl3N3O and a molecular weight of 368.74 g/mol. Its IUPAC name is 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
PubChem CID119851476
Molecular FormulaC15H24Cl3N3O
Molecular Weight368.74 g/mol
Exact Mass367.10
IUPAC Name4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
SMILESCC(CN1CCCCC1)NC(=O)c1ccc(N)cc1Cl.Cl.Cl
InChIInChI=1S/C15H22ClN3O.2ClH/c1-11(10-19-7-3-2-4-8-19)18-15(20)13-6-5-12(17)9-14(13)16;;/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20);2*1H
InChIKeyAYIGTMLSOGUPLC-UHFFFAOYSA-N
XLogP3.37
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.74
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-chloro-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61471794
3-amino-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride
CID 119851488
4-amino-2-chloro-N-(1-methylsulfonylpropan-2-yl)benzamide;hydrochloride
CID 119786700
5-chloro-2-hydroxy-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217192
2-chloro-N-(1-piperidin-1-ylpropan-2-yl)furan-3-carboxamide
CID 106685808
5-amino-2-methyl-N-(1-morpholin-4-ylpropan-2-yl)benzamide;dihydrochloride
CID 120642682
2-fluoro-N-(1-piperidin-1-ylpropan-2-yl)-5-sulfanylbenzamide
CID 107025381
2-hydrazinyl-5-methyl-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62511679
4-fluoro-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 112702718
5-amino-2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62815269
4-amino-2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide;dihydrochloride
CID 119852975
4-amino-2-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113266180

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
The IUPAC name of 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride (CID 119851476) is 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride.
What is the SMILES notation for 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
The canonical SMILES for 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride is CC(CN1CCCCC1)NC(=O)c1ccc(N)cc1Cl.Cl.Cl.
What is the InChIKey of 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
The InChIKey is AYIGTMLSOGUPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O.2ClH/c1-11(10-19-7-3-2-4-8-19)18-15(20)13-6-5-12(17)9-14(13)16;;/h5-6,9,11H,2-4,7-8,10,17H2,1H3,(H,18,20);2*1H.
What are the key properties of 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride?
4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride has a molecular weight of 368.74 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-chloro-N-(1-piperidin-1-ylpropan-2-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119851476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).