3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate

C30H26N2O6 — CID 178202346

IUPAC3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate
SMILESC[C@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H26N2O6/c1-18-19(29(35)38-32-27(33)24-13-6-7-14-25(24)28(32)34)15-8-16-31(18)30(36)37-17-26-22-11-4-2-9-20(22)21-10-3-5-12-23(21)26/h2-7,9-14,18-19,26H,8,15-17H2,1H3/t18-,19-/m0/s1
InChIKeyJAMGSIFEPUHXOR-OALUTQOASA-N
MW510.55 g/mol
LogP4.79
Rot. Bonds4

About 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate

3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate (PubChem CID 178202346) has the molecular formula C30H26N2O6 and a molecular weight of 510.55 g/mol. Its IUPAC name is 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate
PubChem CID178202346
Molecular FormulaC30H26N2O6
Molecular Weight510.55 g/mol
Exact Mass510.18
IUPAC Name3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate
SMILESC[C@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C30H26N2O6/c1-18-19(29(35)38-32-27(33)24-13-6-7-14-25(24)28(32)34)15-8-16-31(18)30(36)37-17-26-22-11-4-2-9-20(22)21-10-3-5-12-23(21)26/h2-7,9-14,18-19,26H,8,15-17H2,1H3/t18-,19-/m0/s1
InChIKeyJAMGSIFEPUHXOR-OALUTQOASA-N
XLogP4.79
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.55
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S,3S)-2-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
CID 178190927
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate
CID 10872065
(2S,3S)-1-[4-(9H-fluoren-9-ylmethoxycarbonylamino)but-2-ynoyl]-2-methylpiperidine-3-carboxylic acid
CID 178191794
(1,3-dioxoisoindol-2-yl) (3S,4R)-4-(9H-fluoren-9-ylmethoxycarbonylamino)oxolane-3-carboxylate
CID 178193977
9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
CID 72747808
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylpentanoyl]-2-methylpiperidine-3-carboxylic acid
CID 165448778
1-O-benzyl 3-O-ethyl (2S,3R)-2-methylpiperidine-1,3-dicarboxylate
CID 124582434
1-O-tert-butyl 2-O-(1,3-dioxoisoindol-2-yl) pyrrolidine-1,2-dicarboxylate
CID 132533225
(2S,3S)-1-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-4,4-difluorobutanoyl]-2-methylpiperidine-3-carboxylic acid
CID 178194942
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
9H-fluoren-9-ylmethyl (2R)-2-(aminomethyl)piperidine-1-carboxylate
CID 7145106
9H-fluoren-9-ylmethyl (2S)-2-(aminomethyl)piperidine-1-carboxylate
CID 7023267

Frequently Asked Questions

What is the IUPAC name of 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate?
The IUPAC name of 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate (CID 178202346) is 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate.
What is the SMILES notation for 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate?
The canonical SMILES for 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate is C[C@H]1[C@@H](C(=O)ON2C(=O)c3ccccc3C2=O)CCCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate?
The InChIKey is JAMGSIFEPUHXOR-OALUTQOASA-N. The full InChI is InChI=1S/C30H26N2O6/c1-18-19(29(35)38-32-27(33)24-13-6-7-14-25(24)28(32)34)15-8-16-31(18)30(36)37-17-26-22-11-4-2-9-20(22)21-10-3-5-12-23(21)26/h2-7,9-14,18-19,26H,8,15-17H2,1H3/t18-,19-/m0/s1.
What are the key properties of 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate?
3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate has a molecular weight of 510.55 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-(1,3-dioxoisoindol-2-yl) 1-O-(9H-fluoren-9-ylmethyl) (2S,3S)-2-methylpiperidine-1,3-dicarboxylate is sourced from PubChem (CID 178202346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).