1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one

C17H28N4O2 — CID 97026411

IUPAC1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
SMILESCC[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1N1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-2-15-12-21(13-16(15)20-8-10-23-11-9-20)17(22)4-3-6-19-7-5-18-14-19/h5,7,14-16H,2-4,6,8-13H2,1H3/t15-,16-/m1/s1
InChIKeyYTBSHNSTGAWMTP-HZPDHXFCSA-N
MW320.44 g/mol
LogP1.23
Rot. Bonds6

About 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one

1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one (PubChem CID 97026411) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one.

Molecular Properties

Compound Name1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
PubChem CID97026411
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one
SMILESCC[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1N1CCOCC1
InChIInChI=1S/C17H28N4O2/c1-2-15-12-21(13-16(15)20-8-10-23-11-9-20)17(22)4-3-6-19-7-5-18-14-19/h5,7,14-16H,2-4,6,8-13H2,1H3/t15-,16-/m1/s1
InChIKeyYTBSHNSTGAWMTP-HZPDHXFCSA-N
XLogP1.23
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 71927864
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7-imidazol-1-yl-1-morpholin-4-ylheptan-1-one
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1-[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 72918461
1-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)-2-propan-2-ylsulfonylethanone
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CID 97026533
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CID 172655812
4-imidazol-1-yl-1-(3-sulfanylidenemorpholin-4-yl)butan-1-one
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4-imidazol-1-yl-1-[(6R)-6-[(6-methylpyrimidin-4-yl)methyl]-1,4-oxazepan-4-yl]butan-1-one
CID 125005388
4-imidazol-1-yl-1-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]butan-1-one
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4-imidazol-1-yl-1-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]butan-1-one
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(3-aminopyrazin-2-yl)-(3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one?
The IUPAC name of 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one (CID 97026411) is 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one.
What is the SMILES notation for 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one?
The canonical SMILES for 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one is CC[C@@H]1CN(C(=O)CCCn2ccnc2)C[C@H]1N1CCOCC1.
What is the InChIKey of 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one?
The InChIKey is YTBSHNSTGAWMTP-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-2-15-12-21(13-16(15)20-8-10-23-11-9-20)17(22)4-3-6-19-7-5-18-14-19/h5,7,14-16H,2-4,6,8-13H2,1H3/t15-,16-/m1/s1.
What are the key properties of 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one?
1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one has a molecular weight of 320.44 g/mol, XLogP of 1.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-ethyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-imidazol-1-ylbutan-1-one is sourced from PubChem (CID 97026411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).