2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride

C19H27Cl2N5O — CID 67030490

IUPAC2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)Cc1ccc(CCc2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C19H25N5O.2ClH/c20-23-18(25)12-16-7-4-15(5-8-16)6-9-17-13-21-19(22-14-17)24-10-2-1-3-11-24;;/h4-5,7-8,13-14H,1-3,6,9-12,20H2,(H,23,25);2*1H
InChIKeyHSAIWGLFUJHREF-UHFFFAOYSA-N
MW412.37 g/mol
LogP2.63
Rot. Bonds6

About 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride

2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride (PubChem CID 67030490) has the molecular formula C19H27Cl2N5O and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride.

Molecular Properties

Compound Name2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride
PubChem CID67030490
Molecular FormulaC19H27Cl2N5O
Molecular Weight412.37 g/mol
Exact Mass411.16
IUPAC Name2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride
SMILESCl.Cl.NNC(=O)Cc1ccc(CCc2cnc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C19H25N5O.2ClH/c20-23-18(25)12-16-7-4-15(5-8-16)6-9-17-13-21-19(22-14-17)24-10-2-1-3-11-24;;/h4-5,7-8,13-14H,1-3,6,9-12,20H2,(H,23,25);2*1H
InChIKeyHSAIWGLFUJHREF-UHFFFAOYSA-N
XLogP2.63
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 52.63
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-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride?
The IUPAC name of 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride (CID 67030490) is 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride.
What is the SMILES notation for 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride?
The canonical SMILES for 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride is Cl.Cl.NNC(=O)Cc1ccc(CCc2cnc(N3CCCCC3)nc2)cc1.
What is the InChIKey of 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride?
The InChIKey is HSAIWGLFUJHREF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.2ClH/c20-23-18(25)12-16-7-4-15(5-8-16)6-9-17-13-21-19(22-14-17)24-10-2-1-3-11-24;;/h4-5,7-8,13-14H,1-3,6,9-12,20H2,(H,23,25);2*1H.
What are the key properties of 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride?
2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride has a molecular weight of 412.37 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride is sourced from PubChem (CID 67030490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).