2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C14H22N4O2 — CID 124999280

IUPAC2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cnc([C@@H]2CCN(CC(=O)N3CCOCC3)C2)[nH]1
InChIInChI=1S/C14H22N4O2/c1-11-8-15-14(16-11)12-2-3-17(9-12)10-13(19)18-4-6-20-7-5-18/h8,12H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRNUSJEYNEAJRTB-GFCCVEGCSA-N
MW278.36 g/mol
LogP0.37
Rot. Bonds3

About 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 124999280) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID124999280
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCc1cnc([C@@H]2CCN(CC(=O)N3CCOCC3)C2)[nH]1
InChIInChI=1S/C14H22N4O2/c1-11-8-15-14(16-11)12-2-3-17(9-12)10-13(19)18-4-6-20-7-5-18/h8,12H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyRNUSJEYNEAJRTB-GFCCVEGCSA-N
XLogP0.37
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 124960108
1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 124953608
2-(azepan-1-yl)-1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]ethanone
CID 124962539
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 124997724
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124996250
2-cyclopropyl-1-[2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 73439823
2-[(3R)-1-(2-methoxyethyl)pyrrolidin-3-yl]-5-methyl-1H-imidazole
CID 125006103
1-[2-[3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 110104109
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
2-morpholin-4-yl-1-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 90650699
1-ethyl-4-[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]piperidine
CID 125019244
1-morpholin-4-yl-2-[3-(5-pyridin-4-ylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 126468602

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 124999280) is 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone is Cc1cnc([C@@H]2CCN(CC(=O)N3CCOCC3)C2)[nH]1.
What is the InChIKey of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is RNUSJEYNEAJRTB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11-8-15-14(16-11)12-2-3-17(9-12)10-13(19)18-4-6-20-7-5-18/h8,12H,2-7,9-10H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 278.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 124999280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).