2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride

C15H25Cl2N3O — CID 119946678

IUPAC2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)c2ccccc2N)C1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-17-9-5-6-12(10-17)11-18(2)15(19)13-7-3-4-8-14(13)16;;/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3;2*1H
InChIKeyUVOHUGIYDWIMMC-UHFFFAOYSA-N
MW334.29 g/mol
LogP2.53
Rot. Bonds3

About 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride

2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride (PubChem CID 119946678) has the molecular formula C15H25Cl2N3O and a molecular weight of 334.29 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
PubChem CID119946678
Molecular FormulaC15H25Cl2N3O
Molecular Weight334.29 g/mol
Exact Mass333.14
IUPAC Name2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride
SMILESCN1CCCC(CN(C)C(=O)c2ccccc2N)C1.Cl.Cl
InChIInChI=1S/C15H23N3O.2ClH/c1-17-9-5-6-12(10-17)11-18(2)15(19)13-7-3-4-8-14(13)16;;/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3;2*1H
InChIKeyUVOHUGIYDWIMMC-UHFFFAOYSA-N
XLogP2.53
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-N-(oxan-3-ylmethyl)benzamide;hydrochloride
CID 119945322
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
3-(2-aminophenyl)-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]propanamide
CID 120612535
5-amino-N,2-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide
CID 120643725
(2R)-2-amino-N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-2-phenylacetamide
CID 125147227
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 119855554
2-amino-N-(2-cyclohexylethyl)-N-methylbenzamide
CID 119945212
3-amino-N-(cyclohexylmethyl)-N,2-dimethylbenzamide
CID 61109740
1-methyl-1-[(1-methylpiperidin-3-yl)methyl]urea
CID 115168460
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63373062
N-methyl-N-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxo-4-phenylbutanamide
CID 95208686
N-(cyclopentylmethyl)-2-hydrazinyl-N-methylbenzamide
CID 63656583

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride?
The IUPAC name of 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride (CID 119946678) is 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride?
The canonical SMILES for 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride is CN1CCCC(CN(C)C(=O)c2ccccc2N)C1.Cl.Cl.
What is the InChIKey of 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride?
The InChIKey is UVOHUGIYDWIMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.2ClH/c1-17-9-5-6-12(10-17)11-18(2)15(19)13-7-3-4-8-14(13)16;;/h3-4,7-8,12H,5-6,9-11,16H2,1-2H3;2*1H.
What are the key properties of 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride?
2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride has a molecular weight of 334.29 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]benzamide;dihydrochloride is sourced from PubChem (CID 119946678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).