1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid

C27H25NO4 — CID 2817758

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C27H25NO4/c29-25(30)27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30)
InChIKeyJWEBOBGECOQGTL-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.05
Rot. Bonds4

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

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid (PubChem CID 2817758) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid
PubChem CID2817758
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C27H25NO4/c29-25(30)27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30)
InChIKeyJWEBOBGECOQGTL-UHFFFAOYSA-N
XLogP5.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid (CID 2817758) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is JWEBOBGECOQGTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c29-25(30)27(19-8-2-1-3-9-19)14-16-28(17-15-27)26(31)32-18-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,24H,14-18H2,(H,29,30).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 2817758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).