4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

C27H25ClN2O4 — CID 69110506

IUPAC4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccc(Cl)cc2)C(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H25ClN2O4/c28-17-9-11-18(12-10-17)30-14-13-27(29,26(32)33)15-24(30)25(31)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24H,13-16,29H2,(H,32,33)
InChIKeyXSMMIKWILPKRLZ-UHFFFAOYSA-N
MW476.96 g/mol
LogP4.45
Rot. Bonds5

About 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid

4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (PubChem CID 69110506) has the molecular formula C27H25ClN2O4 and a molecular weight of 476.96 g/mol. Its IUPAC name is 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
PubChem CID69110506
Molecular FormulaC27H25ClN2O4
Molecular Weight476.96 g/mol
Exact Mass476.15
IUPAC Name4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
SMILESNC1(C(=O)O)CCN(c2ccc(Cl)cc2)C(C(=O)OCC2c3ccccc3-c3ccccc32)C1
InChIInChI=1S/C27H25ClN2O4/c28-17-9-11-18(12-10-17)30-14-13-27(29,26(32)33)15-24(30)25(31)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24H,13-16,29H2,(H,32,33)
InChIKeyXSMMIKWILPKRLZ-UHFFFAOYSA-N
XLogP4.45
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.96
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 165179277
(2S,4R)-4-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)thiane-4-carboxylic acid
CID 95567242
1-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylic acid
CID 22145281
cis-(1R,2S)-1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)cyclopropane-1-carboxylic acid
CID 86307384
(1R,2R)-2-amino-1-(9H-fluoren-9-ylmethoxycarbonyl)-1,3-dihydroindene-2-carboxylic acid
CID 86307557
1-amino-3-(9H-fluoren-9-ylmethoxycarbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 57366128
copper bis([2,4-dicarboxy-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]azanide)
CID 169145121
1-amino-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 68838890
9H-fluoren-9-ylmethyl 1-aminopyrrolidine-3-carboxylate
CID 53442786
4-(aminomethyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)oxane-4-carboxylic acid
CID 121493858
9H-fluoren-9-ylmethyl 1-aminocyclohexane-1-carboxylate
CID 71433298
4-cyclopropyl-1-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid
CID 167725398

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid (CID 69110506) is 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is NC1(C(=O)O)CCN(c2ccc(Cl)cc2)C(C(=O)OCC2c3ccccc3-c3ccccc32)C1.
What is the InChIKey of 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
The InChIKey is XSMMIKWILPKRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN2O4/c28-17-9-11-18(12-10-17)30-14-13-27(29,26(32)33)15-24(30)25(31)34-16-23-21-7-3-1-5-19(21)20-6-2-4-8-22(20)23/h1-12,23-24H,13-16,29H2,(H,32,33).
What are the key properties of 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid?
4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid has a molecular weight of 476.96 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-chlorophenyl)-2-(9H-fluoren-9-ylmethoxycarbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 69110506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).