1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid

C27H25NO4 — CID 53395529

IUPAC1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCC1c1ccccc1
InChIInChI=1S/C27H25NO4/c29-26(30)24-16-28(15-14-19(24)18-8-2-1-3-9-18)27(31)32-17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-13,19,24-25H,14-17H2,(H,29,30)
InChIKeyOYQJCYXNLDUARS-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.13
Rot. Bonds4

About 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid

1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid (PubChem CID 53395529) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
PubChem CID53395529
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCC1c1ccccc1
InChIInChI=1S/C27H25NO4/c29-26(30)24-16-28(15-14-19(24)18-8-2-1-3-9-18)27(31)32-17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-13,19,24-25H,14-17H2,(H,29,30)
InChIKeyOYQJCYXNLDUARS-UHFFFAOYSA-N
XLogP5.13
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 ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-3-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167735642
4-(4-chlorophenyl)-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-3-carboxylic acid
CID 155896987
(3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 59904204
9H-fluoren-9-ylmethyl 3-aminopyrrolidine-1-carboxylate
CID 2756439
(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 75525905
benzene;9H-fluoren-9-ylmethyl (2S)-2-phenylcyclobutane-1-carboxylate
CID 145368266
trans-(1R,2S)-2-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]cyclopropane-1-carboxylic acid
CID 146081972
(3R,4R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]pyrrolidine-3-carboxylic acid
CID 154726860
1-[4-(9H-fluoren-9-ylmethoxycarbonyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 125423518
4-[1-(9H-fluoren-9-ylmethoxycarbonyl)azetidin-3-yl]benzoic acid
CID 154856826
9H-fluoren-9-ylmethyl (4aR,7aS)-6-amino-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridine-2-carboxylate
CID 178202530
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-phenylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid (CID 53395529) is 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid is O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCC1c1ccccc1.
What is the InChIKey of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid?
The InChIKey is OYQJCYXNLDUARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c29-26(30)24-16-28(15-14-19(24)18-8-2-1-3-9-18)27(31)32-17-25-22-12-6-4-10-20(22)21-11-5-7-13-23(21)25/h1-13,19,24-25H,14-17H2,(H,29,30).
What are the key properties of 1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid?
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-phenylpiperidine-3-carboxylic acid has a molecular weight of 427.50 g/mol, XLogP of 5.13, 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-3-carboxylic acid is sourced from PubChem (CID 53395529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).