2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

C16H27N3O3 — CID 95612816

IUPAC2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C16H27N3O3/c1-13(20)19-7-3-5-15(19)14-4-2-6-18(14)12-16(21)17-8-10-22-11-9-17/h14-15H,2-12H2,1H3/t14-,15+/m1/s1
InChIKeyNKYWBHUHENTBKI-CABCVRRESA-N
MW309.41 g/mol
LogP0.32
Rot. Bonds3

About 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone

2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 95612816) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
PubChem CID95612816
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone
SMILESCC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N1CCOCC1
InChIInChI=1S/C16H27N3O3/c1-13(20)19-7-3-5-15(19)14-4-2-6-18(14)12-16(21)17-8-10-22-11-9-17/h14-15H,2-12H2,1H3/t14-,15+/m1/s1
InChIKeyNKYWBHUHENTBKI-CABCVRRESA-N
XLogP0.32
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone (CID 95612816) is 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is CC(=O)N1CCC[C@H]1[C@H]1CCCN1CC(=O)N1CCOCC1.
What is the InChIKey of 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NKYWBHUHENTBKI-CABCVRRESA-N. The full InChI is InChI=1S/C16H27N3O3/c1-13(20)19-7-3-5-15(19)14-4-2-6-18(14)12-16(21)17-8-10-22-11-9-17/h14-15H,2-12H2,1H3/t14-,15+/m1/s1.
What are the key properties of 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone?
2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 309.41 g/mol, XLogP of 0.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-[(2S)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 95612816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).