1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone

C16H27N3O2 — CID 79109647

IUPAC1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
SMILESCCCNC(CC)c1ccn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H27N3O2/c1-3-6-17-15(4-2)14-5-7-18(12-14)13-16(20)19-8-10-21-11-9-19/h5,7,12,15,17H,3-4,6,8-11,13H2,1-2H3
InChIKeyBLJPSUDEYHHLFY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.80
Rot. Bonds7

About 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone

1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone (PubChem CID 79109647) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
PubChem CID79109647
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone
SMILESCCCNC(CC)c1ccn(CC(=O)N2CCOCC2)c1
InChIInChI=1S/C16H27N3O2/c1-3-6-17-15(4-2)14-5-7-18(12-14)13-16(20)19-8-10-21-11-9-19/h5,7,12,15,17H,3-4,6,8-11,13H2,1-2H3
InChIKeyBLJPSUDEYHHLFY-UHFFFAOYSA-N
XLogP1.80
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-hydroxypropyl)pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 79105732
1-(azepan-1-yl)-2-[3-[1-(propylamino)ethyl]pyrrol-1-yl]ethanone
CID 79109034
1-(azepan-1-yl)-2-[3-[1-(methylamino)propyl]pyrrol-1-yl]ethanone
CID 79105496
N-(1-methoxypropan-2-yl)-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]acetamide
CID 79109807
1-(azepan-1-yl)-2-[3-(1-hydroxypropyl)pyrrol-1-yl]ethanone
CID 79105113
2-[3-[(tert-butylamino)methyl]pyrrol-1-yl]-1-morpholin-4-ylethanone
CID 66403976
3-[1-(3-fluorophenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 114871820
N-[1-[1-(2-morpholin-4-ylethyl)pyrrol-3-yl]ethyl]propan-1-amine
CID 79099347
3-[1-(2-hydroxyphenyl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115901497
1-[1-[2-(diethylamino)ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 79104740
1-[1-[3-(dimethylamino)propyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 114526215
1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-3-yl]-N-propylpropan-1-amine
CID 112591101

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone (CID 79109647) is 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone is CCCNC(CC)c1ccn(CC(=O)N2CCOCC2)c1.
What is the InChIKey of 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone?
The InChIKey is BLJPSUDEYHHLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-3-6-17-15(4-2)14-5-7-18(12-14)13-16(20)19-8-10-21-11-9-19/h5,7,12,15,17H,3-4,6,8-11,13H2,1-2H3.
What are the key properties of 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone?
1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone has a molecular weight of 293.41 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[3-[1-(propylamino)propyl]pyrrol-1-yl]ethanone is sourced from PubChem (CID 79109647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).