3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride

C18H38Cl2N4O2 — CID 119393081

IUPAC3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
SMILESCCC(CC)C(C(=O)NCCCN1CCNCC1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C18H36N4O2.2ClH/c1-3-16(4-2)17(22-12-14-24-15-13-22)18(23)20-6-5-9-21-10-7-19-8-11-21;;/h16-17,19H,3-15H2,1-2H3,(H,20,23);2*1H
InChIKeySOSBQKZEWUTMKN-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.38
Rot. Bonds9

About 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride

3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride (PubChem CID 119393081) has the molecular formula C18H38Cl2N4O2 and a molecular weight of 413.43 g/mol. Its IUPAC name is 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride.

Molecular Properties

Compound Name3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
PubChem CID119393081
Molecular FormulaC18H38Cl2N4O2
Molecular Weight413.43 g/mol
Exact Mass412.24
IUPAC Name3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride
SMILESCCC(CC)C(C(=O)NCCCN1CCNCC1)N1CCOCC1.Cl.Cl
InChIInChI=1S/C18H36N4O2.2ClH/c1-3-16(4-2)17(22-12-14-24-15-13-22)18(23)20-6-5-9-21-10-7-19-8-11-21;;/h16-17,19H,3-15H2,1-2H3,(H,20,23);2*1H
InChIKeySOSBQKZEWUTMKN-UHFFFAOYSA-N
XLogP1.38
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-N-[3-(methylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
CID 119432428
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
CID 119392993
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
CID 120652628
N-(3-morpholin-4-ylpropyl)-N'-(2-piperazin-1-ylethyl)oxamide
CID 108517732
N-(2-amino-2-ethylbutyl)-3-ethyl-2-morpholin-4-ylpentanamide
CID 119642279
1-(3-ethyl-2-morpholin-4-ylpentyl)-3-(3-piperidin-1-ylpropyl)urea
CID 112829380
(2S)-2-amino-4-methyl-N-(3-morpholin-4-ylpropyl)pentanamide;dihydrochloride
CID 119827262
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
3-ethyl-2-morpholin-4-ylpentanamide
CID 154739613
(2S)-2-amino-N-(3-morpholin-4-ylpropyl)hexanamide
CID 93339966
2-amino-3-methoxy-N-(3-morpholin-4-ylpropyl)propanamide
CID 81081646

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride?
The IUPAC name of 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride (CID 119393081) is 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride.
What is the SMILES notation for 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride?
The canonical SMILES for 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride is CCC(CC)C(C(=O)NCCCN1CCNCC1)N1CCOCC1.Cl.Cl.
What is the InChIKey of 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride?
The InChIKey is SOSBQKZEWUTMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N4O2.2ClH/c1-3-16(4-2)17(22-12-14-24-15-13-22)18(23)20-6-5-9-21-10-7-19-8-11-21;;/h16-17,19H,3-15H2,1-2H3,(H,20,23);2*1H.
What are the key properties of 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride?
3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride has a molecular weight of 413.43 g/mol, XLogP of 1.38, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-morpholin-4-yl-N-(3-piperazin-1-ylpropyl)pentanamide;dihydrochloride is sourced from PubChem (CID 119393081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).