1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea

C15H24N6O2 — CID 177253126

IUPAC1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(C(=O)NN)cc1N1CCN(C)CC1
InChIInChI=1S/C15H24N6O2/c1-3-17-15(23)18-12-5-4-11(14(22)19-16)10-13(12)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9,16H2,1-2H3,(H,19,22)(H2,17,18,23)
InChIKeyIKQDVONGRGNSPA-UHFFFAOYSA-N
MW320.40 g/mol
LogP0.18
Rot. Bonds4

About 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea

1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea (PubChem CID 177253126) has the molecular formula C15H24N6O2 and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea
PubChem CID177253126
Molecular FormulaC15H24N6O2
Molecular Weight320.40 g/mol
Exact Mass320.20
IUPAC Name1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea
SMILESCCNC(=O)Nc1ccc(C(=O)NN)cc1N1CCN(C)CC1
InChIInChI=1S/C15H24N6O2/c1-3-17-15(23)18-12-5-4-11(14(22)19-16)10-13(12)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9,16H2,1-2H3,(H,19,22)(H2,17,18,23)
InChIKeyIKQDVONGRGNSPA-UHFFFAOYSA-N
XLogP0.18
TPSA102.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-(ethylcarbamoylamino)-3-(4-fluoropiperidin-1-yl)benzoate
CID 177253137
N-ethyl-3-(ethylsulfamoyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 99967029
3-(4-methylpiperazin-1-yl)-4-(phenylmethoxycarbonylamino)benzoic acid
CID 118536103
1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methoxyphenyl)phenyl]urea;hydrochloride
CID 177253186
methyl 4-(ethylcarbamoylamino)-3-[4-(naphthalene-1-carbonyl)piperazin-1-yl]benzoate
CID 177253140
3-amino-N-ethyl-4-(4-ethylpiperazin-1-yl)benzamide
CID 83000329
3-amino-N-ethyl-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 82167851
4-amino-3-(4-methylpiperazin-1-yl)benzamide
CID 55189987
1-[(1-hydroxycyclopentyl)methyl]-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 110907910
3-N,3-N-dimethyl-1-N-[2-(4-methylpiperazin-1-yl)phenyl]benzene-1,3-dicarboxamide
CID 57327062
3-amino-N-ethyl-4-[(1-methylpiperidin-3-yl)methylamino]benzamide
CID 82989904
1-(3-hydroxy-4-methylpentyl)-3-[2-(4-methylpiperazin-1-yl)phenyl]urea
CID 111462816

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea?
The IUPAC name of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea (CID 177253126) is 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea.
What is the SMILES notation for 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea?
The canonical SMILES for 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea is CCNC(=O)Nc1ccc(C(=O)NN)cc1N1CCN(C)CC1.
What is the InChIKey of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea?
The InChIKey is IKQDVONGRGNSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O2/c1-3-17-15(23)18-12-5-4-11(14(22)19-16)10-13(12)21-8-6-20(2)7-9-21/h4-5,10H,3,6-9,16H2,1-2H3,(H,19,22)(H2,17,18,23).
What are the key properties of 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea?
1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea has a molecular weight of 320.40 g/mol, XLogP of 0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[4-(hydrazinecarbonyl)-2-(4-methylpiperazin-1-yl)phenyl]urea is sourced from PubChem (CID 177253126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).