9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate

C34H36N4O4 — CID 118109468

IUPAC9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate
SMILESCN(Cc1cc2ccccc2n1CCC(=O)N1CCC(=O)CC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H36N4O4/c1-35(36(2)34(41)42-23-31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31)22-25-21-24-9-3-8-14-32(24)38(25)20-17-33(40)37-18-15-26(39)16-19-37/h3-14,21,31H,15-20,22-23H2,1-2H3
InChIKeyXIJUPDUCWBGNBR-UHFFFAOYSA-N
MW564.69 g/mol
LogP5.45
Rot. Bonds8

About 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate

9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate (PubChem CID 118109468) has the molecular formula C34H36N4O4 and a molecular weight of 564.69 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate
PubChem CID118109468
Molecular FormulaC34H36N4O4
Molecular Weight564.69 g/mol
Exact Mass564.27
IUPAC Name9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate
SMILESCN(Cc1cc2ccccc2n1CCC(=O)N1CCC(=O)CC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C34H36N4O4/c1-35(36(2)34(41)42-23-31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31)22-25-21-24-9-3-8-14-32(24)38(25)20-17-33(40)37-18-15-26(39)16-19-37/h3-14,21,31H,15-20,22-23H2,1-2H3
InChIKeyXIJUPDUCWBGNBR-UHFFFAOYSA-N
XLogP5.45
TPSA75.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.69
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate (CID 118109468) is 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate is CN(Cc1cc2ccccc2n1CCC(=O)N1CCC(=O)CC1)N(C)C(=O)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate?
The InChIKey is XIJUPDUCWBGNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N4O4/c1-35(36(2)34(41)42-23-31-29-12-6-4-10-27(29)28-11-5-7-13-30(28)31)22-25-21-24-9-3-8-14-32(24)38(25)20-17-33(40)37-18-15-26(39)16-19-37/h3-14,21,31H,15-20,22-23H2,1-2H3.
What are the key properties of 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate?
9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate has a molecular weight of 564.69 g/mol, XLogP of 5.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-methyl-N-[methyl-[[1-[3-oxo-3-(4-oxopiperidin-1-yl)propyl]indol-2-yl]methyl]amino]carbamate is sourced from PubChem (CID 118109468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).