methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate

C22H24N2O4 — CID 11718644

IUPACmethyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCNCC1
InChIInChI=1S/C22H24N2O4/c1-27-20(25)22(10-12-23-13-11-22)24-21(26)28-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19,23H,10-14H2,1H3,(H,24,26)
InChIKeyLRAJDODFASAYKH-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.82
Rot. Bonds4

About methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate

methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate (PubChem CID 11718644) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate
PubChem CID11718644
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Namemethyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate
SMILESCOC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCNCC1
InChIInChI=1S/C22H24N2O4/c1-27-20(25)22(10-12-23-13-11-22)24-21(26)28-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19,23H,10-14H2,1H3,(H,24,26)
InChIKeyLRAJDODFASAYKH-UHFFFAOYSA-N
XLogP2.82
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 21303770
methyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)spiro[2.4]heptane-2-carboxylate
CID 129451733
methyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-9-oxo-9λ4-thiabicyclo[3.3.1]nonane-3-carboxylate
CID 171951058
tert-butyl 1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohenicosane-1-carboxylate
CID 11399449
9H-fluoren-9-ylmethyl N-piperidin-4-ylcarbamate
CID 2756219
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxy-3-methylcyclobutane-1-carboxylic acid
CID 146109638
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluorocyclopentane-1-carboxylic acid
CID 171397176
1-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylcyclobutane-1-carboxylic acid
CID 103563616
8-(9H-fluoren-9-ylmethoxycarbonylamino)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 1268221
ethyl 3-(9H-fluoren-9-ylmethoxycarbonylamino)-8-azabicyclo[3.2.1]octane-3-carboxylate
CID 171951016
4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxothiane-4-carboxylic acid
CID 1268237
4-tert-butyl-1-(9H-fluoren-9-ylmethoxycarbonylamino)cyclohexane-1-carboxylic acid
CID 21350526

Frequently Asked Questions

What is the IUPAC name of methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate (CID 11718644) is methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate is COC(=O)C1(NC(=O)OCC2c3ccccc3-c3ccccc32)CCNCC1.
What is the InChIKey of methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate?
The InChIKey is LRAJDODFASAYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-27-20(25)22(10-12-23-13-11-22)24-21(26)28-14-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,19,23H,10-14H2,1H3,(H,24,26).
What are the key properties of methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate?
methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(9H-fluoren-9-ylmethoxycarbonylamino)piperidine-4-carboxylate is sourced from PubChem (CID 11718644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).