N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide

C20H25N5O2 — CID 44760715

IUPACN'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
SMILESCN(NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-23(17-7-3-2-4-8-17)22-19(26)10-11-20(27)25-15-13-24(14-16-25)18-9-5-6-12-21-18/h2-9,12H,10-11,13-16H2,1H3,(H,22,26)
InChIKeyWMHUMFRUWWZVCP-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.68
Rot. Bonds6

About N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide

N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide (PubChem CID 44760715) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
PubChem CID44760715
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide
SMILESCN(NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1
InChIInChI=1S/C20H25N5O2/c1-23(17-7-3-2-4-8-17)22-19(26)10-11-20(27)25-15-13-24(14-16-25)18-9-5-6-12-21-18/h2-9,12H,10-11,13-16H2,1H3,(H,22,26)
InChIKeyWMHUMFRUWWZVCP-UHFFFAOYSA-N
XLogP1.68
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]anilino)acetic acid
CID 25220077
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-[methyl(3-phenylpropyl)amino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 55703482
3-(propan-2-ylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 60854319
2-(4-bromo-N-methylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 141220319
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
4-amino-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 22692257
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 113117514
N-[2-(dimethylamino)ethyl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]methanesulfonamide
CID 113138133
N-(3-chlorophenyl)-4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 44760722
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide?
The IUPAC name of N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide (CID 44760715) is N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide.
What is the SMILES notation for N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide?
The canonical SMILES for N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide is CN(NC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)c1ccccc1.
What is the InChIKey of N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide?
The InChIKey is WMHUMFRUWWZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23(17-7-3-2-4-8-17)22-19(26)10-11-20(27)25-15-13-24(14-16-25)18-9-5-6-12-21-18/h2-9,12H,10-11,13-16H2,1H3,(H,22,26).
What are the key properties of N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide?
N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide has a molecular weight of 367.45 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-oxo-N'-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)butanehydrazide is sourced from PubChem (CID 44760715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).