9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate

C32H43NO6 — CID 147927240

IUPAC9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CCOCCOCCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C32H43NO6/c1-32(2,3)39-30(34)16-20-37-22-21-36-19-8-9-24-14-17-33(18-15-24)31(35)38-23-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29/h4-7,10-13,24,29H,8-9,14-23H2,1-3H3
InChIKeyIJDYURYRQLWICL-UHFFFAOYSA-N
MW537.70 g/mol
LogP6.19
Rot. Bonds12

About 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate

9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate (PubChem CID 147927240) has the molecular formula C32H43NO6 and a molecular weight of 537.70 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate
PubChem CID147927240
Molecular FormulaC32H43NO6
Molecular Weight537.70 g/mol
Exact Mass537.31
IUPAC Name9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)CCOCCOCCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1
InChIInChI=1S/C32H43NO6/c1-32(2,3)39-30(34)16-20-37-22-21-36-19-8-9-24-14-17-33(18-15-24)31(35)38-23-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29/h4-7,10-13,24,29H,8-9,14-23H2,1-3H3
InChIKeyIJDYURYRQLWICL-UHFFFAOYSA-N
XLogP6.19
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.70
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate with MolForge

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Related Compounds

4-[[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethyl]amino]-4-oxobutanoic acid
CID 118109485
9H-fluoren-9-ylmethyl 4-[3-(1-methylpiperidin-4-yl)propyl]piperidine-1-carboxylate
CID 139393952
4-O-tert-butyl 1-O-(9H-fluoren-9-ylmethyl) piperazine-1,4-dicarboxylate
CID 129193688
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)piperidine-1-carboxylate
CID 63310303
[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]methylazanium
CID 7010657
(3-propyl-9H-fluoren-9-yl)methyl 4-[3-[1-(9H-fluoren-9-ylmethoxycarbonyl)piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 163687677
tert-butyl carbamate;9H-fluoren-9-ylmethyl 4-iminopiperidine-1-carboxylate
CID 143674727
9H-fluoren-9-ylmethyl 4-acetylpiperazine-1-carboxylate
CID 59751608
9H-fluoren-9-ylmethyl 4-benzylpiperidine-1-carboxylate
CID 102221470
(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[1-[3-[2-[2-[2-[2-[[2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]propanoic acid
CID 176802488
9H-fluoren-9-ylmethyl 4-(hydroxymethyl)azepane-1-carboxylate
CID 130858128
(3R)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
CID 59904204

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate?
The IUPAC name of 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate (CID 147927240) is 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate?
The canonical SMILES for 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)CCOCCOCCCC1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)CC1.
What is the InChIKey of 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate?
The InChIKey is IJDYURYRQLWICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H43NO6/c1-32(2,3)39-30(34)16-20-37-22-21-36-19-8-9-24-14-17-33(18-15-24)31(35)38-23-29-27-12-6-4-10-25(27)26-11-5-7-13-28(26)29/h4-7,10-13,24,29H,8-9,14-23H2,1-3H3.
What are the key properties of 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate?
9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate has a molecular weight of 537.70 g/mol, XLogP of 6.19, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl 4-[3-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]propyl]piperidine-1-carboxylate is sourced from PubChem (CID 147927240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).