3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione

C23H34FN3O3 — CID 142360550

IUPAC3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione
SMILESCC(C)COc1cc(C2(NNCCCCCC3CCC(=O)NC3=O)CC2)ccc1F
InChIInChI=1S/C23H34FN3O3/c1-16(2)15-30-20-14-18(8-9-19(20)24)23(11-12-23)27-25-13-5-3-4-6-17-7-10-21(28)26-22(17)29/h8-9,14,16-17,25,27H,3-7,10-13,15H2,1-2H3,(H,26,28,29)
InChIKeyUZCXVWSBAVNCNZ-UHFFFAOYSA-N
MW419.54 g/mol
LogP3.56
Rot. Bonds12

About 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione

3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione (PubChem CID 142360550) has the molecular formula C23H34FN3O3 and a molecular weight of 419.54 g/mol. Its IUPAC name is 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione
PubChem CID142360550
Molecular FormulaC23H34FN3O3
Molecular Weight419.54 g/mol
Exact Mass419.26
IUPAC Name3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione
SMILESCC(C)COc1cc(C2(NNCCCCCC3CCC(=O)NC3=O)CC2)ccc1F
InChIInChI=1S/C23H34FN3O3/c1-16(2)15-30-20-14-18(8-9-19(20)24)23(11-12-23)27-25-13-5-3-4-6-17-7-10-21(28)26-22(17)29/h8-9,14,16-17,25,27H,3-7,10-13,15H2,1-2H3,(H,26,28,29)
InChIKeyUZCXVWSBAVNCNZ-UHFFFAOYSA-N
XLogP3.56
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[3-(1,1-difluoroprop-2-enoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pentane-1-sulfinamide
CID 134553531
3-[(E)-7-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]hept-2-enyl]piperidine-2,6-dione
CID 134553665
(E)-N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-6-(2,6-dioxopiperidin-3-yl)hex-2-ene-1-sulfonamide
CID 146228099
3-[6-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethylamino]sulfanylhexyl]piperidine-2,6-dione
CID 145227308
3-[5-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]sulfonylpentyl]piperidine-2,6-dione
CID 147666390
3-[5-[(2R)-2-[3-(2,2-dimethylpropoxy)-4-fluorophenyl]propyl]sulfonylpentyl]piperidine-2,6-dione
CID 161227719
4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
CID 142360229
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360581
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione
CID 142399513
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(2,6-dioxopiperidin-3-yl)pent-3-ene-1-sulfonamide
CID 140886486
N-[(2S)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-hydroxybutyl]-4-(2,6-dioxopiperidin-3-yl)butane-1-sulfonamide
CID 134558234
3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione
CID 106458139

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione (CID 142360550) is 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione is CC(C)COc1cc(C2(NNCCCCCC3CCC(=O)NC3=O)CC2)ccc1F.
What is the InChIKey of 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione?
The InChIKey is UZCXVWSBAVNCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O3/c1-16(2)15-30-20-14-18(8-9-19(20)24)23(11-12-23)27-25-13-5-3-4-6-17-7-10-21(28)26-22(17)29/h8-9,14,16-17,25,27H,3-7,10-13,15H2,1-2H3,(H,26,28,29).
What are the key properties of 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione?
3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione has a molecular weight of 419.54 g/mol, XLogP of 3.56, 12 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione is sourced from PubChem (CID 142360550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).