4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

C23H25NO4 — CID 63310500

IUPAC4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C23H25NO4/c1-2-23(21(25)26)11-13-24(14-12-23)22(27)28-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,2,11-15H2,1H3,(H,25,26)
InChIKeySTSYGDQTYHCAHB-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.51
Rot. Bonds4

About 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 63310500) has the molecular formula C23H25NO4 and a molecular weight of 379.46 g/mol. Its IUPAC name is 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID63310500
Molecular FormulaC23H25NO4
Molecular Weight379.46 g/mol
Exact Mass379.18
IUPAC Name4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESCCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C23H25NO4/c1-2-23(21(25)26)11-13-24(14-12-23)22(27)28-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,2,11-15H2,1H3,(H,25,26)
InChIKeySTSYGDQTYHCAHB-UHFFFAOYSA-N
XLogP4.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)hexanoic acid
CID 2756087
1-{[(9H-Fluoren-9-yl)methoxy]carbonyl}piperidine-4-carboxylic acid
CID 2736490
(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]piperidine-2-carboxylic acid
CID 983042
N-Fmoc-iminodiacetic acid
CID 601361
1-((tert-butoxy)carbonyl)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)piperidine-4-carboxylic acid
CID 2734399
2-({1-[(tert-butoxy)carbonyl]piperidin-4-yl}({[(9H-fluoren-9-yl)methoxy]carbonyl})amino)acetic acid
CID 2756163
(2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-methylpentanoic acid
CID 7015835
8-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)octanoic acid
CID 2756091
2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)acetic acid
CID 688640
(2S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-methylbutanoic acid
CID 978328
(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-3-phenylpropanoic acid
CID 978357
4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid
CID 2756086

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (CID 63310500) is 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is CCC1(C(=O)O)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is STSYGDQTYHCAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO4/c1-2-23(21(25)26)11-13-24(14-12-23)22(27)28-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h3-10,20H,2,11-15H2,1H3,(H,25,26).
What are the key properties of 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 379.46 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 63310500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).