(2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide

C25H28N4O5 — CID 58181680

IUPAC(2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)CNC2)[C@H](O)[C@H]1OCCN(c2cccc(N3CCCCC3=O)c2)C1=O
InChIInChI=1S/C25H28N4O5/c30-21-6-1-2-9-28(21)19-4-3-5-20(13-19)29-10-11-34-23(25(29)33)22(31)24(32)27-18-8-7-16-14-26-15-17(16)12-18/h3-5,7-8,12-13,22-23,26,31H,1-2,6,9-11,14-15H2,(H,27,32)/t22-,23-/m1/s1
InChIKeyCJDPBNWWGQZQME-DHIUTWEWSA-N
MW464.52 g/mol
LogP1.54
Rot. Bonds5

About (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide

(2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide (PubChem CID 58181680) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide
PubChem CID58181680
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name(2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide
SMILESO=C(Nc1ccc2c(c1)CNC2)[C@H](O)[C@H]1OCCN(c2cccc(N3CCCCC3=O)c2)C1=O
InChIInChI=1S/C25H28N4O5/c30-21-6-1-2-9-28(21)19-4-3-5-20(13-19)29-10-11-34-23(25(29)33)22(31)24(32)27-18-8-7-16-14-26-15-17(16)12-18/h3-5,7-8,12-13,22-23,26,31H,1-2,6,9-11,14-15H2,(H,27,32)/t22-,23-/m1/s1
InChIKeyCJDPBNWWGQZQME-DHIUTWEWSA-N
XLogP1.54
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide?
The IUPAC name of (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide (CID 58181680) is (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide.
What is the SMILES notation for (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide?
The canonical SMILES for (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide is O=C(Nc1ccc2c(c1)CNC2)[C@H](O)[C@H]1OCCN(c2cccc(N3CCCCC3=O)c2)C1=O.
What is the InChIKey of (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide?
The InChIKey is CJDPBNWWGQZQME-DHIUTWEWSA-N. The full InChI is InChI=1S/C25H28N4O5/c30-21-6-1-2-9-28(21)19-4-3-5-20(13-19)29-10-11-34-23(25(29)33)22(31)24(32)27-18-8-7-16-14-26-15-17(16)12-18/h3-5,7-8,12-13,22-23,26,31H,1-2,6,9-11,14-15H2,(H,27,32)/t22-,23-/m1/s1.
What are the key properties of (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide?
(2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide has a molecular weight of 464.52 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dihydro-1H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[3-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide is sourced from PubChem (CID 58181680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).