2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride

C18H31Cl2N3O — CID 119883039

IUPAC2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C(C)(C)N)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-14-12-16(20(4)17(22)18(2,3)19)10-11-21(14)13-15-8-6-5-7-9-15;;/h5-9,14,16H,10-13,19H2,1-4H3;2*1H
InChIKeyGPLBMJRHISZSOP-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.08
Rot. Bonds4

About 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride

2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride (PubChem CID 119883039) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride.

Molecular Properties

Compound Name2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
PubChem CID119883039
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
SMILESCC1CC(N(C)C(=O)C(C)(C)N)CCN1Cc1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-14-12-16(20(4)17(22)18(2,3)19)10-11-21(14)13-15-8-6-5-7-9-15;;/h5-9,14,16H,10-13,19H2,1-4H3;2*1H
InChIKeyGPLBMJRHISZSOP-UHFFFAOYSA-N
XLogP3.08
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methyl-2-phenylpropanamide;dihydrochloride
CID 119883047
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935
N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
3-[[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]methyl]benzoic acid
CID 122029049
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
CID 95632987
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
CID 120646621
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 97317575

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride?
The IUPAC name of 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride (CID 119883039) is 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride.
What is the SMILES notation for 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride?
The canonical SMILES for 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride is CC1CC(N(C)C(=O)C(C)(C)N)CCN1Cc1ccccc1.Cl.Cl.
What is the InChIKey of 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride?
The InChIKey is GPLBMJRHISZSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-14-12-16(20(4)17(22)18(2,3)19)10-11-21(14)13-15-8-6-5-7-9-15;;/h5-9,14,16H,10-13,19H2,1-4H3;2*1H.
What are the key properties of 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride?
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride is sourced from PubChem (CID 119883039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).