1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one

C16H26N4O2 — CID 71927864

IUPAC1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
SMILESCCC1CN(C(=O)CCn2ccnc2)CC1N1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-2-14-11-20(12-15(14)19-7-9-22-10-8-19)16(21)3-5-18-6-4-17-13-18/h4,6,13-15H,2-3,5,7-12H2,1H3
InChIKeyAHXRKISDTYXSJJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.84
Rot. Bonds5

About 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one

1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one (PubChem CID 71927864) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
PubChem CID71927864
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one
SMILESCCC1CN(C(=O)CCn2ccnc2)CC1N1CCOCC1
InChIInChI=1S/C16H26N4O2/c1-2-14-11-20(12-15(14)19-7-9-22-10-8-19)16(21)3-5-18-6-4-17-13-18/h4,6,13-15H,2-3,5,7-12H2,1H3
InChIKeyAHXRKISDTYXSJJ-UHFFFAOYSA-N
XLogP0.84
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 97026411
1-[(3S,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(tetrazol-1-yl)ethanone
CID 97026542
7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
CID 54259833
1-[(3R,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 124557729
1-[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 110108416
1-[(3S,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 95935284
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-imidazol-1-ylpropan-1-one
CID 66260854
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041
1-[(3R,4R)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 97026533
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 154737500
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
3-imidazol-1-yl-1-[3-(methylamino)pyrrolidin-1-yl]propan-1-one
CID 81469967

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one (CID 71927864) is 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one is CCC1CN(C(=O)CCn2ccnc2)CC1N1CCOCC1.
What is the InChIKey of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one?
The InChIKey is AHXRKISDTYXSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-2-14-11-20(12-15(14)19-7-9-22-10-8-19)16(21)3-5-18-6-4-17-13-18/h4,6,13-15H,2-3,5,7-12H2,1H3.
What are the key properties of 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one?
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one has a molecular weight of 306.41 g/mol, XLogP of 0.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 71927864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).