(2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane

C22H37ClN6O3 — CID 143061667

IUPAC(2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane
SMILESCC.CCC/C(=N\N(CC)CC(=O)N1CCN(c2ccc(Cl)c(OC)c2)CC1)C(=O)NN
InChIInChI=1S/C20H31ClN6O3.C2H6/c1-4-6-17(20(29)23-22)24-27(5-2)14-19(28)26-11-9-25(10-12-26)15-7-8-16(21)18(13-15)30-3;1-2/h7-8,13H,4-6,9-12,14,22H2,1-3H3,(H,23,29);1-2H3/b24-17+;
InChIKeyCQIIJEJRYLTASZ-HRKWZSCTSA-N
MW469.03 g/mol
LogP2.49
Rot. Bonds9

About (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane

(2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane (PubChem CID 143061667) has the molecular formula C22H37ClN6O3 and a molecular weight of 469.03 g/mol. Its IUPAC name is (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane.

Molecular Properties

Compound Name(2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane
PubChem CID143061667
Molecular FormulaC22H37ClN6O3
Molecular Weight469.03 g/mol
Exact Mass468.26
IUPAC Name(2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane
SMILESCC.CCC/C(=N\N(CC)CC(=O)N1CCN(c2ccc(Cl)c(OC)c2)CC1)C(=O)NN
InChIInChI=1S/C20H31ClN6O3.C2H6/c1-4-6-17(20(29)23-22)24-27(5-2)14-19(28)26-11-9-25(10-12-26)15-7-8-16(21)18(13-15)30-3;1-2/h7-8,13H,4-6,9-12,14,22H2,1-3H3,(H,23,29);1-2H3/b24-17+;
InChIKeyCQIIJEJRYLTASZ-HRKWZSCTSA-N
XLogP2.49
TPSA103.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.03
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylamino]-2,2,2-trifluoroethanimidamide
CID 143061825
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[[(Z)-(1-chloro-4,4,4-trifluorobutan-2-ylidene)amino]-ethylamino]ethanone
CID 143061332
2-amino-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061887
1-[4-(4-chloro-3-methoxyphenyl)-1,4-diazepan-1-yl]-2-[[(Z)-(1-chloro-3-pyridin-3-ylpropan-2-ylidene)amino]-ethylamino]ethanone
CID 143061796
acetylene;2-[1-aminopropan-2-yl-[(Z)-(3-chloro-1,1-difluoropropan-2-ylidene)amino]amino]-1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]ethanone
CID 143061760
5-chloro-2-[4-[2-[[(Z)-(3-chloro-1,1,1-trifluorobutan-2-ylidene)amino]-ethylamino]acetyl]-1,4-diazepan-1-yl]-4-methoxybenzaldehyde;ethane
CID 143061800
1-[4-(4-amino-3-methoxyphenyl)piperazin-1-yl]-2-(dimethylamino)ethanone
CID 68521880
2-[5-chloro-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-formylanilino]acetic acid
CID 143413541
2-[2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]amino]-N-formyl-5-methylanilino]acetic acid
CID 143413504
methyl 5-chloro-2-[4-[2-[[(Z)-(3-chloro-1,1,1-trifluoropropan-2-ylidene)amino]-ethylamino]acetyl]piperazin-1-yl]-4-methoxybenzoate
CID 143061939
1-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-[4-chloro-3-propyl-5-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 21071060
CID 58237741
CID 58237741

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane?
The IUPAC name of (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane (CID 143061667) is (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane.
What is the SMILES notation for (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane?
The canonical SMILES for (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane is CC.CCC/C(=N\N(CC)CC(=O)N1CCN(c2ccc(Cl)c(OC)c2)CC1)C(=O)NN.
What is the InChIKey of (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane?
The InChIKey is CQIIJEJRYLTASZ-HRKWZSCTSA-N. The full InChI is InChI=1S/C20H31ClN6O3.C2H6/c1-4-6-17(20(29)23-22)24-27(5-2)14-19(28)26-11-9-25(10-12-26)15-7-8-16(21)18(13-15)30-3;1-2/h7-8,13H,4-6,9-12,14,22H2,1-3H3,(H,23,29);1-2H3/b24-17+;.
What are the key properties of (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane?
(2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane has a molecular weight of 469.03 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-ethylhydrazinylidene]pentanehydrazide;ethane is sourced from PubChem (CID 143061667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).