3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride

C16H27Cl2N3O — CID 119878325

IUPAC3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
SMILESCN(C(=O)CCN)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18(16(20)7-10-17)15-8-11-19(12-9-15)13-14-5-3-2-4-6-14;;/h2-6,15H,7-13,17H2,1H3;2*1H
InChIKeyDZANWTYIJIHDHH-UHFFFAOYSA-N
MW348.32 g/mol
LogP2.30
Rot. Bonds5

About 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride

3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride (PubChem CID 119878325) has the molecular formula C16H27Cl2N3O and a molecular weight of 348.32 g/mol. Its IUPAC name is 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
PubChem CID119878325
Molecular FormulaC16H27Cl2N3O
Molecular Weight348.32 g/mol
Exact Mass347.15
IUPAC Name3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
SMILESCN(C(=O)CCN)C1CCN(Cc2ccccc2)CC1.Cl.Cl
InChIInChI=1S/C16H25N3O.2ClH/c1-18(16(20)7-10-17)15-8-11-19(12-9-15)13-14-5-3-2-4-6-14;;/h2-6,15H,7-13,17H2,1H3;2*1H
InChIKeyDZANWTYIJIHDHH-UHFFFAOYSA-N
XLogP2.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
N-(1-benzylpiperidin-4-yl)-N-methylcarbamoyl chloride
CID 82379735
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
4-(aminomethyl)-N-(1-benzylpiperidin-4-yl)-N-methyloxane-4-carboxamide
CID 120941164
1-amino-N-(1-benzylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide
CID 119878264
2-(4-benzylpiperazin-1-yl)-N-methyl-N-piperidin-4-ylacetamide
CID 119441700
N-(1-benzylpiperidin-4-yl)-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 154801400
2-(2-aminoethyl)-N-(1-benzylpiperidin-4-yl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646306
3-[(3S,4R)-1-benzyl-4-(dimethylamino)piperidin-3-yl]-N-cyclohexyl-N-methylpropanamide
CID 118755533
2-(5-amino-4,6-dimethylpyrimidin-2-yl)oxy-N-(1-benzylpiperidin-4-yl)-N-methylacetamide;methane
CID 159325573
(2S)-N-(1-benzylpiperidin-4-yl)-N-methylpiperidine-2-carboxamide;dihydrochloride
CID 119878274

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride (CID 119878325) is 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride is CN(C(=O)CCN)C1CCN(Cc2ccccc2)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
The InChIKey is DZANWTYIJIHDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O.2ClH/c1-18(16(20)7-10-17)15-8-11-19(12-9-15)13-14-5-3-2-4-6-14;;/h2-6,15H,7-13,17H2,1H3;2*1H.
What are the key properties of 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride?
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride has a molecular weight of 348.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride is sourced from PubChem (CID 119878325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).