2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride

C11H25Cl2N3O — CID 119424560

IUPAC2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride
SMILESCC(C)N(C)CC(=O)NC1CCCNC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-9(2)14(3)8-11(15)13-10-5-4-6-12-7-10;;/h9-10,12H,4-8H2,1-3H3,(H,13,15);2*1H
InChIKeyXWUGXQMWMGPHSE-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.04
Rot. Bonds4

About 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride

2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride (PubChem CID 119424560) has the molecular formula C11H25Cl2N3O and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride
PubChem CID119424560
Molecular FormulaC11H25Cl2N3O
Molecular Weight286.25 g/mol
Exact Mass285.14
IUPAC Name2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride
SMILESCC(C)N(C)CC(=O)NC1CCCNC1.Cl.Cl
InChIInChI=1S/C11H23N3O.2ClH/c1-9(2)14(3)8-11(15)13-10-5-4-6-12-7-10;;/h9-10,12H,4-8H2,1-3H3,(H,13,15);2*1H
InChIKeyXWUGXQMWMGPHSE-UHFFFAOYSA-N
XLogP1.04
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(3R)-piperidin-3-yl]propanamide;hydrochloride
CID 53256452
N',N'-dimethyl-N-piperidin-3-ylpropanediamide
CID 119424705
N-piperidin-3-ylpropanamide
CID 3520588
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
N-cyclohexyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide;hydrochloride
CID 119922828
N-cyclohexyl-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63644075
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
methyl 3-oxo-3-(piperidin-3-ylamino)propanoate
CID 117126379
3-methylsulfonyl-N-[(3S)-piperidin-3-yl]propanamide
CID 104982434
4-methoxy-3-methyl-N-[(3S)-piperidin-3-yl]butanamide
CID 103866535
N-cyclohexyl-2-[methyl(piperidin-3-ylmethyl)amino]acetamide
CID 106636311

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride (CID 119424560) is 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride is CC(C)N(C)CC(=O)NC1CCCNC1.Cl.Cl.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride?
The InChIKey is XWUGXQMWMGPHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O.2ClH/c1-9(2)14(3)8-11(15)13-10-5-4-6-12-7-10;;/h9-10,12H,4-8H2,1-3H3,(H,13,15);2*1H.
What are the key properties of 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride?
2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride has a molecular weight of 286.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-N-piperidin-3-ylacetamide;dihydrochloride is sourced from PubChem (CID 119424560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).