N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide

C22H29N5O2 — CID 29048545

IUPACN-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCNCC2)cc1=O)N(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C22H29N5O2/c28-21-14-20(25-12-10-23-11-13-25)15-24-27(21)17-22(29)26(19-8-4-5-9-19)16-18-6-2-1-3-7-18/h1-3,6-7,14-15,19,23H,4-5,8-13,16-17H2
InChIKeyXJZZIJRRBDSXSM-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.62
Rot. Bonds6

About N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide

N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide (PubChem CID 29048545) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide.

Molecular Properties

Compound NameN-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
PubChem CID29048545
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide
SMILESO=C(Cn1ncc(N2CCNCC2)cc1=O)N(Cc1ccccc1)C1CCCC1
InChIInChI=1S/C22H29N5O2/c28-21-14-20(25-12-10-23-11-13-25)15-24-27(21)17-22(29)26(19-8-4-5-9-19)16-18-6-2-1-3-7-18/h1-3,6-7,14-15,19,23H,4-5,8-13,16-17H2
InChIKeyXJZZIJRRBDSXSM-UHFFFAOYSA-N
XLogP1.62
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The IUPAC name of N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide (CID 29048545) is N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide.
What is the SMILES notation for N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The canonical SMILES for N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide is O=C(Cn1ncc(N2CCNCC2)cc1=O)N(Cc1ccccc1)C1CCCC1.
What is the InChIKey of N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
The InChIKey is XJZZIJRRBDSXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-21-14-20(25-12-10-23-11-13-25)15-24-27(21)17-22(29)26(19-8-4-5-9-19)16-18-6-2-1-3-7-18/h1-3,6-7,14-15,19,23H,4-5,8-13,16-17H2.
What are the key properties of N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide?
N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide has a molecular weight of 395.51 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetamide is sourced from PubChem (CID 29048545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).