5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride

C17H29Cl2N3O — CID 120645515

IUPAC5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)N1CCC(C)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-12-6-8-20(9-7-12)14(3)11-19-17(21)16-10-15(18)5-4-13(16)2;;/h4-5,10,12,14H,6-9,11,18H2,1-3H3,(H,19,21);2*1H
InChIKeyHTFRFMLVHFJCAS-UHFFFAOYSA-N
MW362.35 g/mol
LogP3.27
Rot. Bonds4

About 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride

5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride (PubChem CID 120645515) has the molecular formula C17H29Cl2N3O and a molecular weight of 362.35 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
PubChem CID120645515
Molecular FormulaC17H29Cl2N3O
Molecular Weight362.35 g/mol
Exact Mass361.17
IUPAC Name5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride
SMILESCc1ccc(N)cc1C(=O)NCC(C)N1CCC(C)CC1.Cl.Cl
InChIInChI=1S/C17H27N3O.2ClH/c1-12-6-8-20(9-7-12)14(3)11-19-17(21)16-10-15(18)5-4-13(16)2;;/h4-5,10,12,14H,6-9,11,18H2,1-3H3,(H,19,21);2*1H
InChIKeyHTFRFMLVHFJCAS-UHFFFAOYSA-N
XLogP3.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.35
LogP ≤ 53.27
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

5-amino-2-methyl-N-(2-morpholin-4-ylpropyl)benzamide;dihydrochloride
CID 120642354
5-amino-N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-2-methylbenzamide;dihydrochloride
CID 120643908
2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]-3-sulfamoylbenzamide
CID 75431995
N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 112502434
3-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119849842
3-(methanesulfonamido)-4-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide
CID 51126883
2-amino-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]benzamide
CID 119946551
5-amino-N-(3-ethyl-2-hydroxypentyl)-2-methylbenzamide;hydrochloride
CID 120632540
5-amino-2-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 120641536
2-(4-aminophenyl)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]acetamide;dihydrochloride
CID 119849811
1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
5-amino-N-(2-hydroxy-3-methylpentyl)-2-methylbenzamide
CID 120632622

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
The IUPAC name of 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride (CID 120645515) is 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
The canonical SMILES for 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride is Cc1ccc(N)cc1C(=O)NCC(C)N1CCC(C)CC1.Cl.Cl.
What is the InChIKey of 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
The InChIKey is HTFRFMLVHFJCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O.2ClH/c1-12-6-8-20(9-7-12)14(3)11-19-17(21)16-10-15(18)5-4-13(16)2;;/h4-5,10,12,14H,6-9,11,18H2,1-3H3,(H,19,21);2*1H.
What are the key properties of 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride?
5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride has a molecular weight of 362.35 g/mol, XLogP of 3.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)propyl]benzamide;dihydrochloride is sourced from PubChem (CID 120645515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).