3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride

C21H29Cl2N3O — CID 119889790

IUPAC3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-15-12-24(14-17-7-4-3-5-8-17)13-16(2)20(15)23-21(25)18-9-6-10-19(22)11-18;;/h3-11,15-16,20H,12-14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyVGRWAOUBVQYSRE-UHFFFAOYSA-N
MW410.39 g/mol
LogP4.00
Rot. Bonds4

About 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride

3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride (PubChem CID 119889790) has the molecular formula C21H29Cl2N3O and a molecular weight of 410.39 g/mol. Its IUPAC name is 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
PubChem CID119889790
Molecular FormulaC21H29Cl2N3O
Molecular Weight410.39 g/mol
Exact Mass409.17
IUPAC Name3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride
SMILESCC1CN(Cc2ccccc2)CC(C)C1NC(=O)c1cccc(N)c1.Cl.Cl
InChIInChI=1S/C21H27N3O.2ClH/c1-15-12-24(14-17-7-4-3-5-8-17)13-16(2)20(15)23-21(25)18-9-6-10-19(22)11-18;;/h3-11,15-16,20H,12-14,22H2,1-2H3,(H,23,25);2*1H
InChIKeyVGRWAOUBVQYSRE-UHFFFAOYSA-N
XLogP4.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 54.00
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

3-amino-N-[[4-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 119848746
3-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]benzamide;dihydrochloride
CID 119845030
N-[(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-3,3,3-trifluoropropanamide
CID 97092747
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-3-phenylpropanamide
CID 119953982
3-amino-N-(2-methylcyclopropyl)benzamide
CID 62399086
N-[(3R,5R)-1-benzyl-3,5-dimethylpiperidin-4-yl]-4,4,4-trifluorobutanamide
CID 97092752
3-[[[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]amino]methyl]-N-methylbenzamide
CID 98873287
2-(2-aminoethyl)-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120647090
(3-aminophenyl)-(4-benzylpiperazin-1-yl)methanone;dihydrochloride
CID 119826758
N-(3-benzyl-3-azabicyclo[3.1.0]hexan-6-yl)quinoxaline-6-carboxamide
CID 167755656
[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-phenylmethanone
CID 69456850

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride (CID 119889790) is 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride is CC1CN(Cc2ccccc2)CC(C)C1NC(=O)c1cccc(N)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride?
The InChIKey is VGRWAOUBVQYSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O.2ClH/c1-15-12-24(14-17-7-4-3-5-8-17)13-16(2)20(15)23-21(25)18-9-6-10-19(22)11-18;;/h3-11,15-16,20H,12-14,22H2,1-2H3,(H,23,25);2*1H.
What are the key properties of 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride?
3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride has a molecular weight of 410.39 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzyl-3,5-dimethylpiperidin-4-yl)benzamide;dihydrochloride is sourced from PubChem (CID 119889790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).