[(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine

C20H29ClN4O2S — CID 88890573

IUPAC[(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine
SMILESC=C(/C=C(\NN)C1CCN(C2CCN(S(C)(=O)=O)C2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN4O2S/c1-15(16-3-5-18(21)6-4-16)13-20(23-22)17-7-10-24(11-8-17)19-9-12-25(14-19)28(2,26)27/h3-6,13,17,19,23H,1,7-12,14,22H2,2H3/b20-13-
InChIKeyYJVFKATXMGULHW-MOSHPQCFSA-N
MW425.00 g/mol
LogP2.45
Rot. Bonds6

About [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine

[(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine (PubChem CID 88890573) has the molecular formula C20H29ClN4O2S and a molecular weight of 425.00 g/mol. Its IUPAC name is [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine.

Molecular Properties

Compound Name[(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine
PubChem CID88890573
Molecular FormulaC20H29ClN4O2S
Molecular Weight425.00 g/mol
Exact Mass424.17
IUPAC Name[(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine
SMILESC=C(/C=C(\NN)C1CCN(C2CCN(S(C)(=O)=O)C2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C20H29ClN4O2S/c1-15(16-3-5-18(21)6-4-16)13-20(23-22)17-7-10-24(11-8-17)19-9-12-25(14-19)28(2,26)27/h3-6,13,17,19,23H,1,7-12,14,22H2,2H3/b20-13-
InChIKeyYJVFKATXMGULHW-MOSHPQCFSA-N
XLogP2.45
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.00
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine?
The IUPAC name of [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine (CID 88890573) is [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine.
What is the SMILES notation for [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine?
The canonical SMILES for [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine is C=C(/C=C(\NN)C1CCN(C2CCN(S(C)(=O)=O)C2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine?
The InChIKey is YJVFKATXMGULHW-MOSHPQCFSA-N. The full InChI is InChI=1S/C20H29ClN4O2S/c1-15(16-3-5-18(21)6-4-16)13-20(23-22)17-7-10-24(11-8-17)19-9-12-25(14-19)28(2,26)27/h3-6,13,17,19,23H,1,7-12,14,22H2,2H3/b20-13-.
What are the key properties of [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine?
[(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine has a molecular weight of 425.00 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-3-(4-chlorophenyl)-1-[1-(1-methylsulfonylpyrrolidin-3-yl)piperidin-4-yl]buta-1,3-dienyl]hydrazine is sourced from PubChem (CID 88890573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).