3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride

C17H35Cl2N3O2 — CID 119491433

IUPAC3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride
SMILESCCC(CC)C(C(=O)N1CCCC(NC)C1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H33N3O2.2ClH/c1-4-14(5-2)16(19-9-11-22-12-10-19)17(21)20-8-6-7-15(13-20)18-3;;/h14-16,18H,4-13H2,1-3H3;2*1H
InChIKeyZEJDONINVFATFG-UHFFFAOYSA-N
MW384.39 g/mol
LogP2.18
Rot. Bonds6

About 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride

3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride (PubChem CID 119491433) has the molecular formula C17H35Cl2N3O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride.

Molecular Properties

Compound Name3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride
PubChem CID119491433
Molecular FormulaC17H35Cl2N3O2
Molecular Weight384.39 g/mol
Exact Mass383.21
IUPAC Name3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride
SMILESCCC(CC)C(C(=O)N1CCCC(NC)C1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C17H33N3O2.2ClH/c1-4-14(5-2)16(19-9-11-22-12-10-19)17(21)20-8-6-7-15(13-20)18-3;;/h14-16,18H,4-13H2,1-3H3;2*1H
InChIKeyZEJDONINVFATFG-UHFFFAOYSA-N
XLogP2.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[(2R)-3-ethyl-2-morpholin-4-ylpentanoyl]pyrrolidine-3-carboxylic acid
CID 124610614
3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one
CID 119579084
3-methyl-1-[3-(methylamino)piperidin-1-yl]-2-piperidin-1-ylbutan-1-one
CID 119491272
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
2,3-dimethyl-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119488190
1-[3-(methylamino)piperidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
CID 119489417
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606871
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
(3S)-N-ethyl-3-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 172646385
3-ethyl-N-[3-(methylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
CID 119432428

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride?
The IUPAC name of 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride (CID 119491433) is 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride.
What is the SMILES notation for 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride?
The canonical SMILES for 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride is CCC(CC)C(C(=O)N1CCCC(NC)C1)N1CCOCC1.Cl.Cl.
What is the InChIKey of 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride?
The InChIKey is ZEJDONINVFATFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.2ClH/c1-4-14(5-2)16(19-9-11-22-12-10-19)17(21)20-8-6-7-15(13-20)18-3;;/h14-16,18H,4-13H2,1-3H3;2*1H.
What are the key properties of 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride?
3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride has a molecular weight of 384.39 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride is sourced from PubChem (CID 119491433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).