4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid

C24H27NO4 — CID 17040157

IUPAC4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid
SMILESO=C(O)CCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H27NO4/c26-23(27)11-5-6-17-12-14-25(15-13-17)24(28)29-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,26,27)
InChIKeyYYRZYEJDKCYTOM-UHFFFAOYSA-N
MW393.48 g/mol
LogP4.90
Rot. Bonds6

About 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid

4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid (PubChem CID 17040157) has the molecular formula C24H27NO4 and a molecular weight of 393.48 g/mol. Its IUPAC name is 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid
PubChem CID17040157
Molecular FormulaC24H27NO4
Molecular Weight393.48 g/mol
Exact Mass393.19
IUPAC Name4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid
SMILESO=C(O)CCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C24H27NO4/c26-23(27)11-5-6-17-12-14-25(15-13-17)24(28)29-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,26,27)
InChIKeyYYRZYEJDKCYTOM-UHFFFAOYSA-N
XLogP4.90
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid?
The IUPAC name of 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid (CID 17040157) is 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid.
What is the SMILES notation for 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid?
The canonical SMILES for 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid is O=C(O)CCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid?
The InChIKey is YYRZYEJDKCYTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO4/c26-23(27)11-5-6-17-12-14-25(15-13-17)24(28)29-16-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-4,7-10,17,22H,5-6,11-16H2,(H,26,27).
What are the key properties of 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid?
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid has a molecular weight of 393.48 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]butanoic acid is sourced from PubChem (CID 17040157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).