N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride

C12H27Cl2N3O — CID 119842334

IUPACN-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCNCC(=O)N(C)C1CCN(C(C)C)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)15-7-5-11(6-8-15)14(4)12(16)9-13-3;;/h10-11,13H,5-9H2,1-4H3;2*1H
InChIKeyXKLJAUKYIXTVHV-UHFFFAOYSA-N
MW300.27 g/mol
LogP1.38
Rot. Bonds4

About N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride

N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride (PubChem CID 119842334) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride
PubChem CID119842334
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC NameN-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride
SMILESCNCC(=O)N(C)C1CCN(C(C)C)CC1.Cl.Cl
InChIInChI=1S/C12H25N3O.2ClH/c1-10(2)15-7-5-11(6-8-15)14(4)12(16)9-13-3;;/h10-11,13H,5-9H2,1-4H3;2*1H
InChIKeyXKLJAUKYIXTVHV-UHFFFAOYSA-N
XLogP1.38
TPSA35.58 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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 54870366
3-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842368
3-(cyclopropylamino)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 54870177
6-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-6-oxohexanoic acid
CID 60953422
(2S)-2-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide;dihydrochloride
CID 119842358
6-amino-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)hexanamide
CID 54870299
N-methyl-3,3-diphenyl-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 134046931
N-cyclobutyl-N-methyl-2-(propan-2-ylamino)acetamide
CID 70337109
2,3-dimethyl-4-[methyl-(1-propan-2-ylpiperidin-4-yl)amino]-4-oxobutanoic acid
CID 103497623
2-(3,4-dichlorophenyl)-N-methyl-N-(1-propan-2-ylpiperidin-4-yl)acetamide
CID 134046949
(2R)-2-amino-N,3,3-trimethyl-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 103929164
ethane;1-(1-propan-2-ylpiperidin-4-yl)ethanone
CID 177135939

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride (CID 119842334) is N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride is CNCC(=O)N(C)C1CCN(C(C)C)CC1.Cl.Cl.
What is the InChIKey of N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride?
The InChIKey is XKLJAUKYIXTVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c1-10(2)15-7-5-11(6-8-15)14(4)12(16)9-13-3;;/h10-11,13H,5-9H2,1-4H3;2*1H.
What are the key properties of N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride?
N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119842334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).