5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide

C19H30N4O2 — CID 4740571

IUPAC5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide
SMILESCc1ccc(C(C)N2CCN(C(=O)CCCC(=O)NN)CC2)c(C)c1
InChIInChI=1S/C19H30N4O2/c1-14-7-8-17(15(2)13-14)16(3)22-9-11-23(12-10-22)19(25)6-4-5-18(24)21-20/h7-8,13,16H,4-6,9-12,20H2,1-3H3,(H,21,24)
InChIKeyMYKNXOINNMJICA-UHFFFAOYSA-N
MW346.48 g/mol
LogP1.67
Rot. Bonds6

About 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide

5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide (PubChem CID 4740571) has the molecular formula C19H30N4O2 and a molecular weight of 346.48 g/mol. Its IUPAC name is 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide.

Molecular Properties

Compound Name5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide
PubChem CID4740571
Molecular FormulaC19H30N4O2
Molecular Weight346.48 g/mol
Exact Mass346.24
IUPAC Name5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide
SMILESCc1ccc(C(C)N2CCN(C(=O)CCCC(=O)NN)CC2)c(C)c1
InChIInChI=1S/C19H30N4O2/c1-14-7-8-17(15(2)13-14)16(3)22-9-11-23(12-10-22)19(25)6-4-5-18(24)21-20/h7-8,13,16H,4-6,9-12,20H2,1-3H3,(H,21,24)
InChIKeyMYKNXOINNMJICA-UHFFFAOYSA-N
XLogP1.67
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-3-(4-hydroxyphenoxy)propan-1-one
CID 4740578
5-[4-(4-methylphenyl)piperazin-1-yl]-5-oxopentanehydrazide
CID 4741180
4-[4-[(1R)-1-(2,4-dimethylphenyl)ethyl]piperazine-1-carbonyl]benzoic acid
CID 2050969
5-oxo-5-piperazin-1-ylpentanehydrazide
CID 2760267
5-amino-N-[1-(2,4-dimethylphenyl)ethyl]-4-methylpentanamide
CID 82011319
2-(2,4-dimethylphenyl)propanehydrazide
CID 116843832
3-[1-(2,4-dimethylphenyl)ethyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980796
5-[4-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperazin-1-yl]-5-oxopentanoic acid
CID 2051143
3-(2,4-dimethylphenyl)propanehydrazide
CID 116843444
3-[1-[1-(2,4-dimethylphenyl)ethyl]piperidin-3-yl]propanoic acid
CID 65072129
5-(2,4-dimethylphenyl)-N-ethyl-5-hydroxypentanamide
CID 112510395
N-(cyclopropylmethyl)-1-[1-(2,4-dimethylphenyl)ethyl]piperidin-4-amine
CID 115306890

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide?
The IUPAC name of 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide (CID 4740571) is 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide.
What is the SMILES notation for 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide?
The canonical SMILES for 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide is Cc1ccc(C(C)N2CCN(C(=O)CCCC(=O)NN)CC2)c(C)c1.
What is the InChIKey of 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide?
The InChIKey is MYKNXOINNMJICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O2/c1-14-7-8-17(15(2)13-14)16(3)22-9-11-23(12-10-22)19(25)6-4-5-18(24)21-20/h7-8,13,16H,4-6,9-12,20H2,1-3H3,(H,21,24).
What are the key properties of 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide?
5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide has a molecular weight of 346.48 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(2,4-dimethylphenyl)ethyl]piperazin-1-yl]-5-oxopentanehydrazide is sourced from PubChem (CID 4740571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).