3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide

C24H31N5O3 — CID 18281862

IUPAC3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C24H31N5O3/c1-18-8-9-20(16-19(18)2)24(32)25-17-23(31)27-26-22(30)10-11-28-12-14-29(15-13-28)21-6-4-3-5-7-21/h3-9,16H,10-15,17H2,1-2H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyBFYUVNCAKPINBH-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.39
Rot. Bonds7

About 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide

3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide (PubChem CID 18281862) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide
PubChem CID18281862
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1C
InChIInChI=1S/C24H31N5O3/c1-18-8-9-20(16-19(18)2)24(32)25-17-23(31)27-26-22(30)10-11-28-12-14-29(15-13-28)21-6-4-3-5-7-21/h3-9,16H,10-15,17H2,1-2H3,(H,25,32)(H,26,30)(H,27,31)
InChIKeyBFYUVNCAKPINBH-UHFFFAOYSA-N
XLogP1.39
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 24979593
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7550980
5-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiophene-2-carbohydrazide
CID 26523718
N'-[2-(4-acetylphenoxy)acetyl]-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 7891748
3,5-dichloro-4-methoxy-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide
CID 29354060
N-[(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 109019767
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
3,5-dimethyl-N-[4-(4-phenylpiperazin-1-yl)butyl]benzamide
CID 55860989
4-methyl-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]thiadiazole-5-carbohydrazide
CID 8968237
N'-[3-(4-phenylpiperazin-1-yl)propanoyl]furan-2-carbohydrazide
CID 2677075
N-benzyl-3-[4-(3-methylphenyl)piperazin-1-yl]propanamide
CID 109018781
3,4-dimethyl-N-[2-oxo-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]benzamide
CID 9254212

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide (CID 18281862) is 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide is Cc1ccc(C(=O)NCC(=O)NNC(=O)CCN2CCN(c3ccccc3)CC2)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide?
The InChIKey is BFYUVNCAKPINBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-18-8-9-20(16-19(18)2)24(32)25-17-23(31)27-26-22(30)10-11-28-12-14-29(15-13-28)21-6-4-3-5-7-21/h3-9,16H,10-15,17H2,1-2H3,(H,25,32)(H,26,30)(H,27,31).
What are the key properties of 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide?
3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide has a molecular weight of 437.54 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-oxo-2-[2-[3-(4-phenylpiperazin-1-yl)propanoyl]hydrazinyl]ethyl]benzamide is sourced from PubChem (CID 18281862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).