4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid

C28H28N2O4 — CID 23573630

IUPAC4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CC1
InChIInChI=1S/C28H28N2O4/c1-19-8-2-7-13-25(19)30-16-14-28(15-17-30,26(31)32)29-27(33)34-18-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h2-13,24H,14-18H2,1H3,(H,29,33)(H,31,32)
InChIKeyRGKSPVVVWRXCBS-UHFFFAOYSA-N
MW456.54 g/mol
LogP4.96
Rot. Bonds5

About 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid

4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid (PubChem CID 23573630) has the molecular formula C28H28N2O4 and a molecular weight of 456.54 g/mol. Its IUPAC name is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid
PubChem CID23573630
Molecular FormulaC28H28N2O4
Molecular Weight456.54 g/mol
Exact Mass456.20
IUPAC Name4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid
SMILESCc1ccccc1N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CC1
InChIInChI=1S/C28H28N2O4/c1-19-8-2-7-13-25(19)30-16-14-28(15-17-30,26(31)32)29-27(33)34-18-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h2-13,24H,14-18H2,1H3,(H,29,33)(H,31,32)
InChIKeyRGKSPVVVWRXCBS-UHFFFAOYSA-N
XLogP4.96
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylic acid
CID 22145281
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[(4-methylphenyl)-diphenylmethyl]piperidine-4-carboxylic acid
CID 154730082
(1R,5S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)bicyclo[3.2.0]heptane-3-carboxylic acid
CID 178200031
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
3-(difluoromethyl)-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclobutane-1-carboxylic acid
CID 155896175
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 146109638
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 162684955
3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-oxabicyclo[3.2.1]octane-3-carboxylic acid
CID 167718744
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxycyclopentane-1-carboxylic acid
CID 22662155

Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid (CID 23573630) is 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid is Cc1ccccc1N1CCC(NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)CC1.
What is the InChIKey of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid?
The InChIKey is RGKSPVVVWRXCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4/c1-19-8-2-7-13-25(19)30-16-14-28(15-17-30,26(31)32)29-27(33)34-18-24-22-11-5-3-9-20(22)21-10-4-6-12-23(21)24/h2-13,24H,14-18H2,1H3,(H,29,33)(H,31,32).
What are the key properties of 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid?
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid has a molecular weight of 456.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-9-ylmethoxycarbonylamino)-1-(2-methylphenyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 23573630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).