3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride

C18H31Cl2N3O — CID 119893685

IUPAC3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)C1CCN(C)C(C)C1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-13-12-16(10-11-20(13)3)21(4)18(22)14(2)17(19)15-8-6-5-7-9-15;;/h5-9,13-14,16-17H,10-12,19H2,1-4H3;2*1H
InChIKeyJSQIINKFTKIULC-UHFFFAOYSA-N
MW376.37 g/mol
LogP3.11
Rot. Bonds4

About 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride

3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride (PubChem CID 119893685) has the molecular formula C18H31Cl2N3O and a molecular weight of 376.37 g/mol. Its IUPAC name is 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
PubChem CID119893685
Molecular FormulaC18H31Cl2N3O
Molecular Weight376.37 g/mol
Exact Mass375.18
IUPAC Name3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride
SMILESCC(C(=O)N(C)C1CCN(C)C(C)C1)C(N)c1ccccc1.Cl.Cl
InChIInChI=1S/C18H29N3O.2ClH/c1-13-12-16(10-11-20(13)3)21(4)18(22)14(2)17(19)15-8-6-5-7-9-15;;/h5-9,13-14,16-17H,10-12,19H2,1-4H3;2*1H
InChIKeyJSQIINKFTKIULC-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 81494459
(2R,3S)-3-amino-N-(4-methoxycyclohexyl)-N,2-dimethyl-3-phenylpropanamide
CID 124741664
3-amino-N,2-dimethyl-3-phenyl-N-pyrrolidin-3-ylpropanamide
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3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
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2-amino-N-(1,2-dimethylpiperidin-4-yl)-N,3-dimethylpentanamide
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3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
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3-amino-1-(2,6-dimethylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
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(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
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride?
The IUPAC name of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride (CID 119893685) is 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride is CC(C(=O)N(C)C1CCN(C)C(C)C1)C(N)c1ccccc1.Cl.Cl.
What is the InChIKey of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride?
The InChIKey is JSQIINKFTKIULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.2ClH/c1-13-12-16(10-11-20(13)3)21(4)18(22)14(2)17(19)15-8-6-5-7-9-15;;/h5-9,13-14,16-17H,10-12,19H2,1-4H3;2*1H.
What are the key properties of 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride?
3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride has a molecular weight of 376.37 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2-dimethylpiperidin-4-yl)-N,2-dimethyl-3-phenylpropanamide;dihydrochloride is sourced from PubChem (CID 119893685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).