2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride

C13H27Cl2N3O2 — CID 119858160

IUPAC2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCC(N2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-11(9-14-2)13(17)16-4-3-12(10-16)15-5-7-18-8-6-15;;/h11-12,14H,3-10H2,1-2H3;2*1H
InChIKeyBHKJWZSIHFALNP-UHFFFAOYSA-N
MW328.28 g/mol
LogP0.62
Rot. Bonds4

About 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride

2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride (PubChem CID 119858160) has the molecular formula C13H27Cl2N3O2 and a molecular weight of 328.28 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
PubChem CID119858160
Molecular FormulaC13H27Cl2N3O2
Molecular Weight328.28 g/mol
Exact Mass327.15
IUPAC Name2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride
SMILESCNCC(C)C(=O)N1CCC(N2CCOCC2)C1.Cl.Cl
InChIInChI=1S/C13H25N3O2.2ClH/c1-11(9-14-2)13(17)16-4-3-12(10-16)15-5-7-18-8-6-15;;/h11-12,14H,3-10H2,1-2H3;2*1H
InChIKeyBHKJWZSIHFALNP-UHFFFAOYSA-N
XLogP0.62
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.28
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-1-(3-pyrrolidin-1-ylpiperidin-1-yl)propan-1-one;dihydrochloride
CID 119858297
2-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119858142
3-methyl-2-(3-morpholin-4-ylpyrrolidine-1-carbonyl)butanenitrile
CID 63516487
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521
1-(4-cyclopropylpiperazin-1-yl)-2-methyl-3-(methylamino)propan-1-one
CID 79202628
2-methyl-3-(methylamino)-1-[3-(2-methylpropyl)pyrrolidin-1-yl]propan-1-one;hydrochloride
CID 119781918
(2R)-2-amino-3,3-dimethyl-1-(3-morpholin-4-ylpyrrolidin-1-yl)butan-1-one
CID 103929897
4-hydroxy-1-(3-morpholin-4-ylpyrrolidin-1-yl)pentan-1-one
CID 79193090
(2S)-2-[(3-morpholin-4-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 78944972
2-methyl-3-(methylamino)-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119886551
2-methyl-3-(methylamino)-1-[4-(4-methylcyclohexyl)piperazin-1-yl]propan-1-one
CID 119887481
2-(cyclopropylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)ethanone
CID 63172093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride (CID 119858160) is 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride is CNCC(C)C(=O)N1CCC(N2CCOCC2)C1.Cl.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride?
The InChIKey is BHKJWZSIHFALNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2.2ClH/c1-11(9-14-2)13(17)16-4-3-12(10-16)15-5-7-18-8-6-15;;/h11-12,14H,3-10H2,1-2H3;2*1H.
What are the key properties of 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride?
2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride has a molecular weight of 328.28 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-1-one;dihydrochloride is sourced from PubChem (CID 119858160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).