2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide

C21H27N5O2 — CID 44539563

IUPAC2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)cn2)CC1
InChIInChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(15-23-20)7-4-17-2-5-18(6-3-17)14-21(28)24-22/h2-3,5-6,8-9,15H,4,7,10-14,22H2,1H3,(H,24,28)
InChIKeyBMFSJIZERNJNPH-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.07
Rot. Bonds6

About 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide

2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide (PubChem CID 44539563) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide
PubChem CID44539563
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)cn2)CC1
InChIInChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(15-23-20)7-4-17-2-5-18(6-3-17)14-21(28)24-22/h2-3,5-6,8-9,15H,4,7,10-14,22H2,1H3,(H,24,28)
InChIKeyBMFSJIZERNJNPH-UHFFFAOYSA-N
XLogP1.07
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.07
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide (CID 44539563) is 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide is CC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)cn2)CC1.
What is the InChIKey of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
The InChIKey is BMFSJIZERNJNPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(15-23-20)7-4-17-2-5-18(6-3-17)14-21(28)24-22/h2-3,5-6,8-9,15H,4,7,10-14,22H2,1H3,(H,24,28).
What are the key properties of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide?
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide has a molecular weight of 381.48 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 44539563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).