3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride

C12H27Cl2N3O — CID 119842368

IUPAC3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)CCN)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)15-8-5-11(6-9-15)14(3)12(16)4-7-13;;/h10-11H,4-9,13H2,1-3H3;2*1H
InChIKeyVQJGWNYPZXZPEZ-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.51
Rot. Bonds4

About 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride

3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride (PubChem CID 119842368) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
PubChem CID119842368
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
SMILESCC(C)N1CCC(N(C)C(=O)CCN)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)15-8-5-11(6-9-15)14(3)12(16)4-7-13;;/h10-11H,4-9,13H2,1-3H3;2*1H
InChIKeyVQJGWNYPZXZPEZ-UHFFFAOYSA-N
XLogP1.51
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)hexanamide
CID 54870299
6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 60953422
N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride
CID 119842334
3-(cyclopropylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 54870177
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
2-(cyclopropylmethylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 54870366
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
3-amino-N-(4-ethylcyclohexyl)-N-methylpropanamide
CID 61028395
3-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878325
3-amino-N-(4-cyclohexylcyclohexyl)-N-methylpropanamide
CID 21479311
4-amino-N-methyl-N-(1-methylpiperidin-4-yl)butanamide
CID 60731508
4-(aminomethyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)benzamide;dihydrochloride
CID 119842344

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The IUPAC name of 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride (CID 119842368) is 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride is CC(C)N1CCC(N(C)C(=O)CCN)CC1.Cl.Cl.
What is the InChIKey of 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
The InChIKey is VQJGWNYPZXZPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-10(2)15-8-5-11(6-9-15)14(3)12(16)4-7-13;;/h10-11H,4-9,13H2,1-3H3;2*1H.
What are the key properties of 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride?
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride is sourced from PubChem (CID 119842368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).