1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid

C31H27NO4 — CID 74892117

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C31H27NO4/c33-29(34)31(23-14-13-21-7-1-2-8-22(21)19-23)15-17-32(18-16-31)30(35)36-20-28-26-11-5-3-9-24(26)25-10-4-6-12-27(25)28/h1-14,19,28H,15-18,20H2,(H,33,34)
InChIKeyHATIERMRHMDJMR-UHFFFAOYSA-N
MW477.56 g/mol
LogP6.21
Rot. Bonds4

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid (PubChem CID 74892117) has the molecular formula C31H27NO4 and a molecular weight of 477.56 g/mol. Its IUPAC name is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid
PubChem CID74892117
Molecular FormulaC31H27NO4
Molecular Weight477.56 g/mol
Exact Mass477.19
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid
SMILESO=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccc3ccccc3c2)CC1
InChIInChI=1S/C31H27NO4/c33-29(34)31(23-14-13-21-7-1-2-8-22(21)19-23)15-17-32(18-16-31)30(35)36-20-28-26-11-5-3-9-24(26)25-10-4-6-12-27(25)28/h1-14,19,28H,15-18,20H2,(H,33,34)
InChIKeyHATIERMRHMDJMR-UHFFFAOYSA-N
XLogP6.21
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9H-fluoren-9-ylmethyl 4-carbonochloridoyl-4-phenylpiperidine-1-carboxylate
CID 59840495
3-(3-bromophenyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 146049077
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398
4-cyano-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 154879025
4-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-1-carboxylic acid
CID 69359350
9H-fluoren-9-ylmethyl 2-oxo-7-azaspiro[3.5]nonane-7-carboxylate
CID 118275293
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
4-(2-bromophenoxy)-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 166000557
9H-fluoren-9-ylmethyl 1,1-dioxo-1,4-thiazinane-4-carboxylate
CID 58283098
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303

Frequently Asked Questions

What is the IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid (CID 74892117) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid is O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(C(=O)O)(c2ccc3ccccc3c2)CC1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid?
The InChIKey is HATIERMRHMDJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27NO4/c33-29(34)31(23-14-13-21-7-1-2-8-22(21)19-23)15-17-32(18-16-31)30(35)36-20-28-26-11-5-3-9-24(26)25-10-4-6-12-27(25)28/h1-14,19,28H,15-18,20H2,(H,33,34).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-naphthalen-2-ylpiperidine-4-carboxylic acid has a molecular weight of 477.56 g/mol, XLogP of 6.21, 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-naphthalen-2-ylpiperidine-4-carboxylic acid is sourced from PubChem (CID 74892117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).