1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate

C35H29N2O6- — CID 170993544

IUPAC1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate
SMILESO=C([O-])C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C35H30N2O6/c38-33(39)32-19-36(34(40)42-20-30-26-13-5-1-9-22(26)23-10-2-6-14-27(23)30)17-18-37(32)35(41)43-21-31-28-15-7-3-11-24(28)25-12-4-8-16-29(25)31/h1-16,30-32H,17-21H2,(H,38,39)/p-1
InChIKeyJGSIWGDUBFOXHQ-UHFFFAOYSA-M
MW573.63 g/mol
LogP4.62
Rot. Bonds5

About 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate

1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate (PubChem CID 170993544) has the molecular formula C35H29N2O6- and a molecular weight of 573.63 g/mol. Its IUPAC name is 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate.

Molecular Properties

Compound Name1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate
PubChem CID170993544
Molecular FormulaC35H29N2O6-
Molecular Weight573.63 g/mol
Exact Mass573.20
IUPAC Name1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate
SMILESO=C([O-])C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C35H30N2O6/c38-33(39)32-19-36(34(40)42-20-30-26-13-5-1-9-22(26)23-10-2-6-14-27(23)30)17-18-37(32)35(41)43-21-31-28-15-7-3-11-24(28)25-12-4-8-16-29(25)31/h1-16,30-32H,17-21H2,(H,38,39)/p-1
InChIKeyJGSIWGDUBFOXHQ-UHFFFAOYSA-M
XLogP4.62
TPSA99.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.63
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
(1R)-2-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydro-1H-isoquinoline-1-carboxylate
CID 86309425
(3S,4R)-4-azaniumyl-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylate
CID 26596954
(2S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylate
CID 6957980
(2R)-1-(9H-fluoren-9-ylmethoxycarbonyl)azepane-2-carboxylic acid
CID 96567444
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
1-O-(9H-fluoren-9-ylmethyl) 2-O-methyl (2S)-aziridine-1,2-dicarboxylate
CID 146517519
9H-fluoren-9-ylmethyl 3-oxoazetidine-1-carboxylate
CID 171525727
(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642

Frequently Asked Questions

What is the IUPAC name of 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate?
The IUPAC name of 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate (CID 170993544) is 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate.
What is the SMILES notation for 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate?
The canonical SMILES for 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate is O=C([O-])C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate?
The InChIKey is JGSIWGDUBFOXHQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H30N2O6/c38-33(39)32-19-36(34(40)42-20-30-26-13-5-1-9-22(26)23-10-2-6-14-27(23)30)17-18-37(32)35(41)43-21-31-28-15-7-3-11-24(28)25-12-4-8-16-29(25)31/h1-16,30-32H,17-21H2,(H,38,39)/p-1.
What are the key properties of 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate?
1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate has a molecular weight of 573.63 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(9H-fluoren-9-ylmethoxycarbonyl)piperazine-2-carboxylate is sourced from PubChem (CID 170993544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).