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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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).