9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate

C28H29N3O2 — CID 169470346

IUPAC9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(N2CCNCC2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H29N3O2/c32-28(30-15-5-6-21-11-13-22(14-12-21)31-18-16-29-17-19-31)33-20-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-14,27,29H,15-20H2,(H,30,32)
InChIKeyQJOUPVWPZONEAV-UHFFFAOYSA-N
MW439.56 g/mol
LogP4.65
Rot. Bonds6

About 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate

9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate (PubChem CID 169470346) has the molecular formula C28H29N3O2 and a molecular weight of 439.56 g/mol. Its IUPAC name is 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate.

Molecular Properties

Compound Name9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
PubChem CID169470346
Molecular FormulaC28H29N3O2
Molecular Weight439.56 g/mol
Exact Mass439.23
IUPAC Name9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate
SMILESO=C(NCC=Cc1ccc(N2CCNCC2)cc1)OCC1c2ccccc2-c2ccccc21
InChIInChI=1S/C28H29N3O2/c32-28(30-15-5-6-21-11-13-22(14-12-21)31-18-16-29-17-19-31)33-20-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-14,27,29H,15-20H2,(H,30,32)
InChIKeyQJOUPVWPZONEAV-UHFFFAOYSA-N
XLogP4.65
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.56
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

Analyze 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9H-fluoren-9-ylmethyl N-[3-[4-(4-hydroxypiperidin-4-yl)phenyl]prop-2-enyl]carbamate
CID 169470517
9H-fluoren-9-ylmethyl N-[3-(4-pyrazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470287
9H-fluoren-9-ylmethyl N-[3-[4-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169469145
9H-fluoren-9-ylmethyl N-[3-(4-imidazol-1-ylphenyl)prop-2-enyl]carbamate
CID 169470793
9H-fluoren-9-ylmethyl N-[3-[4-(2-hydroxyethyl)phenyl]prop-2-enyl]carbamate
CID 169469471
9H-fluoren-9-ylmethyl N-[3-(2-pyrrolidin-1-ylpyrimidin-5-yl)prop-2-enyl]carbamate
CID 169470328
9H-fluoren-9-ylmethyl N-[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enyl]carbamate
CID 169470124
2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenyl]-2-methylpropanoic acid
CID 169470392
9H-fluoren-9-ylmethyl N-[3-(6-hydroxynaphthalen-2-yl)prop-2-enyl]carbamate
CID 169470273
9H-fluoren-9-ylmethyl N-[3-(2-morpholin-4-ylphenyl)prop-2-enyl]carbamate
CID 169470801
methyl 2-[4-[3-(9H-fluoren-9-ylmethoxycarbonylamino)prop-1-enyl]phenoxy]acetate
CID 169470427
9H-fluoren-9-ylmethyl N-[3-(3-fluoro-4-hydroxyphenyl)prop-2-enyl]carbamate
CID 169469128

Frequently Asked Questions

What is the IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate?
The IUPAC name of 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate (CID 169470346) is 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate.
What is the SMILES notation for 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate?
The canonical SMILES for 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate is O=C(NCC=Cc1ccc(N2CCNCC2)cc1)OCC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate?
The InChIKey is QJOUPVWPZONEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2/c32-28(30-15-5-6-21-11-13-22(14-12-21)31-18-16-29-17-19-31)33-20-27-25-9-3-1-7-23(25)24-8-2-4-10-26(24)27/h1-14,27,29H,15-20H2,(H,30,32).
What are the key properties of 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate?
9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate has a molecular weight of 439.56 g/mol, XLogP of 4.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-ylmethyl N-[3-(4-piperazin-1-ylphenyl)prop-2-enyl]carbamate is sourced from PubChem (CID 169470346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).