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

C20H26N4O — CID 44539560

IUPAC2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c21-23-20(25)14-17-7-4-16(5-8-17)6-9-18-10-11-19(22-15-18)24-12-2-1-3-13-24/h4-5,7-8,10-11,15H,1-3,6,9,12-14,21H2,(H,23,25)
InChIKeyVDCAGWNUMLIDEP-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.39
Rot. Bonds6

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

2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide (PubChem CID 44539560) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide
PubChem CID44539560
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide
SMILESNNC(=O)Cc1ccc(CCc2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C20H26N4O/c21-23-20(25)14-17-7-4-16(5-8-17)6-9-18-10-11-19(22-15-18)24-12-2-1-3-13-24/h4-5,7-8,10-11,15H,1-3,6,9,12-14,21H2,(H,23,25)
InChIKeyVDCAGWNUMLIDEP-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.39
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide?
The IUPAC name of 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide (CID 44539560) is 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide?
The canonical SMILES for 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide is NNC(=O)Cc1ccc(CCc2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide?
The InChIKey is VDCAGWNUMLIDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c21-23-20(25)14-17-7-4-16(5-8-17)6-9-18-10-11-19(22-15-18)24-12-2-1-3-13-24/h4-5,7-8,10-11,15H,1-3,6,9,12-14,21H2,(H,23,25).
What are the key properties of 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide?
2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide has a molecular weight of 338.46 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-piperidin-1-yl-3-pyridinyl)ethyl]phenyl]acetohydrazide is sourced from PubChem (CID 44539560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).