6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid

C25H29NO4 — CID 165476462

IUPAC6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
SMILESCCCCC1CCC(C(=O)O)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29NO4/c1-2-3-8-18-14-13-17(24(27)28)15-26(18)25(29)30-16-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,17-18,23H,2-3,8,13-16H2,1H3,(H,27,28)
InChIKeyJEBBUNJAGZPGIE-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.29
Rot. Bonds6

About 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid

6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid (PubChem CID 165476462) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
PubChem CID165476462
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Name6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid
SMILESCCCCC1CCC(C(=O)O)CN1C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C25H29NO4/c1-2-3-8-18-14-13-17(24(27)28)15-26(18)25(29)30-16-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,17-18,23H,2-3,8,13-16H2,1H3,(H,27,28)
InChIKeyJEBBUNJAGZPGIE-UHFFFAOYSA-N
XLogP5.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 2-(2-hydroxyethyl)piperidine-1-carboxylate
CID 63310302
9H-fluoren-9-ylmethyl (2S,4R)-2-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 10830778
2-(aminomethyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167719994
(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
9H-fluoren-9-ylmethyl (2S,5R)-2-ethyl-5-methylpiperazine-1-carboxylate
CID 154574605
(2R,3S,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-3,4-dihydroxypyrrolidine-2-carboxylic acid
CID 154853066
2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 141413081
2-[(2S,4S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methoxypyrrolidin-2-yl]acetic acid
CID 155821603
9H-fluoren-9-ylmethyl 2-(2-acetyloxyethyl)piperidine-1-carboxylate
CID 72747808
9H-fluoren-9-ylmethyl 3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 76652146
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-hydroxypiperidine-2-carboxylic acid
CID 90456877

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid (CID 165476462) is 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid is CCCCC1CCC(C(=O)O)CN1C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
The InChIKey is JEBBUNJAGZPGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-2-3-8-18-14-13-17(24(27)28)15-26(18)25(29)30-16-23-21-11-6-4-9-19(21)20-10-5-7-12-22(20)23/h4-7,9-12,17-18,23H,2-3,8,13-16H2,1H3,(H,27,28).
What are the key properties of 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid?
6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid has a molecular weight of 407.51 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 165476462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).