3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one

C16H31N3O2 — CID 119579084

IUPAC3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one
SMILESCCC(CC)C(C(=O)N1CCNC(C)C1)N1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-4-14(5-2)15(18-8-10-21-11-9-18)16(20)19-7-6-17-13(3)12-19/h13-15,17H,4-12H2,1-3H3
InChIKeyQYBKGRWEZMBQPB-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds5

About 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one

3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one (PubChem CID 119579084) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one
PubChem CID119579084
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one
SMILESCCC(CC)C(C(=O)N1CCNC(C)C1)N1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-4-14(5-2)15(18-8-10-21-11-9-18)16(20)19-7-6-17-13(3)12-19/h13-15,17H,4-12H2,1-3H3
InChIKeyQYBKGRWEZMBQPB-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.94
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-(methylamino)piperidin-1-yl]-2-morpholin-4-ylpentan-1-one;dihydrochloride
CID 119491433
2-[[4-(3-ethyl-2-morpholin-4-ylpentanoyl)morpholin-2-yl]methyl-methylamino]acetic acid
CID 120606871
(2R)-2-(2-fluorophenyl)-1-[(3S)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 124591149
(2S)-2-(2-fluorophenyl)-1-[(3R)-3-methylpiperazin-1-yl]-2-morpholin-4-ylethanone
CID 124591150
[(3R)-3-methylpiperazin-1-yl]-(oxan-4-yl)methanone
CID 81427826
1-(3-methylpiperazin-1-yl)-2-phenylbutan-1-one;hydrochloride
CID 119579782
1-[(3S)-3-methylpiperazin-1-yl]butan-1-one
CID 11355735
1-(3-methylpiperazin-1-yl)ethanone
CID 10749289
(3R)-3-methyl-N-propylpiperazine-1-carboxamide
CID 104974924
2-butoxy-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119580184
2-(3-methylbutoxy)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 119578968

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one?
The IUPAC name of 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one (CID 119579084) is 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one?
The canonical SMILES for 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one is CCC(CC)C(C(=O)N1CCNC(C)C1)N1CCOCC1.
What is the InChIKey of 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one?
The InChIKey is QYBKGRWEZMBQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-14(5-2)15(18-8-10-21-11-9-18)16(20)19-7-6-17-13(3)12-19/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one?
3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one has a molecular weight of 297.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methylpiperazin-1-yl)-2-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 119579084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).