1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone

C18H26N2O3 — CID 97470878

IUPAC1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-22-14-18(21)20-8-7-16(19-9-11-23-12-10-19)17(20)13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3/t16-,17+/m1/s1
InChIKeyGUHRCOKTCVSQAC-SJORKVTESA-N
MW318.42 g/mol
LogP1.18
Rot. Bonds5

About 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone

1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone (PubChem CID 97470878) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone
PubChem CID97470878
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1
InChIInChI=1S/C18H26N2O3/c1-22-14-18(21)20-8-7-16(19-9-11-23-12-10-19)17(20)13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3/t16-,17+/m1/s1
InChIKeyGUHRCOKTCVSQAC-SJORKVTESA-N
XLogP1.18
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone (CID 97470878) is 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone is COCC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1Cc1ccccc1.
What is the InChIKey of 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone?
The InChIKey is GUHRCOKTCVSQAC-SJORKVTESA-N. The full InChI is InChI=1S/C18H26N2O3/c1-22-14-18(21)20-8-7-16(19-9-11-23-12-10-19)17(20)13-15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3/t16-,17+/m1/s1.
What are the key properties of 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone?
1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone has a molecular weight of 318.42 g/mol, XLogP of 1.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,3R)-2-benzyl-3-morpholin-4-ylpyrrolidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 97470878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).