2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride

C11H23Cl2N3O — CID 119877838

IUPAC2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C11H21N3O.2ClH/c12-8-11(15)14-7-4-10(9-14)13-5-2-1-3-6-13;;/h10H,1-9,12H2;2*1H
InChIKeyAOOQUXCMHPBLMT-UHFFFAOYSA-N
MW284.23 g/mol
LogP0.88
Rot. Bonds2

About 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride

2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride (PubChem CID 119877838) has the molecular formula C11H23Cl2N3O and a molecular weight of 284.23 g/mol. Its IUPAC name is 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride.

Molecular Properties

Compound Name2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
PubChem CID119877838
Molecular FormulaC11H23Cl2N3O
Molecular Weight284.23 g/mol
Exact Mass283.12
IUPAC Name2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
SMILESCl.Cl.NCC(=O)N1CCC(N2CCCCC2)C1
InChIInChI=1S/C11H21N3O.2ClH/c12-8-11(15)14-7-4-10(9-14)13-5-2-1-3-6-13;;/h10H,1-9,12H2;2*1H
InChIKeyAOOQUXCMHPBLMT-UHFFFAOYSA-N
XLogP0.88
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-3-methyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 64678059
2-(1-aminocyclohexyl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64678060
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
CID 63175257
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015
6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63168060
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
3-amino-2,2-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-one
CID 63168632
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
2-[4-(aminomethyl)phenyl]-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63591390
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The IUPAC name of 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride (CID 119877838) is 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride.
What is the SMILES notation for 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The canonical SMILES for 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride is Cl.Cl.NCC(=O)N1CCC(N2CCCCC2)C1.
What is the InChIKey of 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
The InChIKey is AOOQUXCMHPBLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O.2ClH/c12-8-11(15)14-7-4-10(9-14)13-5-2-1-3-6-13;;/h10H,1-9,12H2;2*1H.
What are the key properties of 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride?
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride has a molecular weight of 284.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride is sourced from PubChem (CID 119877838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).