4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione

C22H33FN4O3 — CID 142361145

IUPAC4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione
SMILESCC(C)(CCCCCN1CC(=O)NC(=O)C1)NNc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H33FN4O3/c1-22(2,10-4-3-5-11-27-13-20(28)24-21(29)14-27)26-25-17-8-9-18(23)19(12-17)30-15-16-6-7-16/h8-9,12,16,25-26H,3-7,10-11,13-15H2,1-2H3,(H,24,28,29)
InChIKeyWLJKZNNVJGTQOQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP2.83
Rot. Bonds12

About 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione

4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione (PubChem CID 142361145) has the molecular formula C22H33FN4O3 and a molecular weight of 420.53 g/mol. Its IUPAC name is 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione.

Molecular Properties

Compound Name4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione
PubChem CID142361145
Molecular FormulaC22H33FN4O3
Molecular Weight420.53 g/mol
Exact Mass420.25
IUPAC Name4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione
SMILESCC(C)(CCCCCN1CC(=O)NC(=O)C1)NNc1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C22H33FN4O3/c1-22(2,10-4-3-5-11-27-13-20(28)24-21(29)14-27)26-25-17-8-9-18(23)19(12-17)30-15-16-6-7-16/h8-9,12,16,25-26H,3-7,10-11,13-15H2,1-2H3,(H,24,28,29)
InChIKeyWLJKZNNVJGTQOQ-UHFFFAOYSA-N
XLogP2.83
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
3-(cyclopropylmethoxy)-N-[7-[(2,5-dioxopyrrolidin-3-yl)amino]-2-methylheptan-2-yl]-4-fluorobenzenesulfonamide
CID 140885285
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360581
N-[[3-(cyclopropylmethoxy)-4-fluorophenyl]-(oxetan-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 142360664
1-[(E)-5-[2-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propan-2-yl]hydrazinyl]pent-2-enyl]imidazolidine-2,4-dione
CID 142361163
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
CID 145227574
3-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-[5-(2,4-dioxoimidazolidin-1-yl)pentylsulfinylamino]propanoic acid
CID 162531925
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-7,7-dimethyloctane-1-sulfonamide
CID 146352826
1-[[5-[3-[[(1R)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]propyl]pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 134553848

Frequently Asked Questions

What is the IUPAC name of 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione?
The IUPAC name of 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione (CID 142361145) is 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione.
What is the SMILES notation for 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione?
The canonical SMILES for 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione is CC(C)(CCCCCN1CC(=O)NC(=O)C1)NNc1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione?
The InChIKey is WLJKZNNVJGTQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O3/c1-22(2,10-4-3-5-11-27-13-20(28)24-21(29)14-27)26-25-17-8-9-18(23)19(12-17)30-15-16-6-7-16/h8-9,12,16,25-26H,3-7,10-11,13-15H2,1-2H3,(H,24,28,29).
What are the key properties of 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione?
4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione has a molecular weight of 420.53 g/mol, XLogP of 2.83, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]hydrazinyl]-6-methylheptyl]piperazine-2,6-dione is sourced from PubChem (CID 142361145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).