copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)

C44H42CuN4O12 — CID 169145121

IUPACcopper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)
SMILES[Cu+2].[NH-]C1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1.[NH-]C1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1
InChIInChI=1S/2C22H21N2O6.Cu/c2*23-22(20(27)28)9-10-24(18(11-22)19(25)26)21(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;/h2*1-8,17-18,23H,9-12H2,(H,25,26)(H,27,28);/q2*-1;+2
InChIKeyWKIVKPGKFYVJDM-UHFFFAOYSA-N
MW882.38 g/mol
LogP6.72
Rot. Bonds8

About copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)

copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide) (PubChem CID 169145121) has the molecular formula C44H42CuN4O12 and a molecular weight of 882.38 g/mol. Its IUPAC name is copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide).

Molecular Properties

Compound Namecopper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)
PubChem CID169145121
Molecular FormulaC44H42CuN4O12
Molecular Weight882.38 g/mol
Exact Mass881.21
IUPAC Namecopper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)
SMILES[Cu+2].[NH-]C1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1.[NH-]C1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1
InChIInChI=1S/2C22H21N2O6.Cu/c2*23-22(20(27)28)9-10-24(18(11-22)19(25)26)21(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;/h2*1-8,17-18,23H,9-12H2,(H,25,26)(H,27,28);/q2*-1;+2
InChIKeyWKIVKPGKFYVJDM-UHFFFAOYSA-N
XLogP6.72
TPSA255.88 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500882.38
LogP ≤ 56.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide) with MolForge

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Related Compounds

(5S)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 171370723
(5R)-4-(9H-fluoren-9-ylmethoxycarbonyl)-1,4-oxazepane-5-carboxylic acid
CID 172868522
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
(2S)-1-[(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 96531841
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypiperidine-2-carboxylic acid
CID 146080993
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 19767634
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylmethoxycarbonylpiperazine-2-carboxylic acid
CID 45073932
9-(9H-fluoren-9-ylmethoxycarbonyl)-6-oxa-9-azaspiro[4.5]decane-10-carboxylic acid
CID 154577043
(2R,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 11609991
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methylpyrrolidine-2-carboxylic acid
CID 91026367
(2R)-4-(4,4-difluoropiperidin-1-yl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
CID 175539537

Frequently Asked Questions

What is the IUPAC name of copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)?
The IUPAC name of copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide) (CID 169145121) is copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide).
What is the SMILES notation for copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)?
The canonical SMILES for copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide) is [Cu+2].[NH-]C1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1.[NH-]C1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(C(=O)O)C1.
What is the InChIKey of copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)?
The InChIKey is WKIVKPGKFYVJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H21N2O6.Cu/c2*23-22(20(27)28)9-10-24(18(11-22)19(25)26)21(29)30-12-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17;/h2*1-8,17-18,23H,9-12H2,(H,25,26)(H,27,28);/q2*-1;+2.
What are the key properties of copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)?
copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide) has a molecular weight of 882.38 g/mol, XLogP of 6.72, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide) is sourced from PubChem (CID 169145121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).