(2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide

C17H27N5O2 — CID 97278609

IUPAC(2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)n1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C17H27N5O2/c1-2-15(17(24)20-13-5-3-4-6-13)22-16(23)11-14(12-19-22)21-9-7-18-8-10-21/h11-13,15,18H,2-10H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyJYOQGANLDTXIQU-HNNXBMFYSA-N
MW333.44 g/mol
LogP0.66
Rot. Bonds5

About (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide

(2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide (PubChem CID 97278609) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide.

Molecular Properties

Compound Name(2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide
PubChem CID97278609
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide
SMILESCC[C@@H](C(=O)NC1CCCC1)n1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C17H27N5O2/c1-2-15(17(24)20-13-5-3-4-6-13)22-16(23)11-14(12-19-22)21-9-7-18-8-10-21/h11-13,15,18H,2-10H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyJYOQGANLDTXIQU-HNNXBMFYSA-N
XLogP0.66
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
The IUPAC name of (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide (CID 97278609) is (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide.
What is the SMILES notation for (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
The canonical SMILES for (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide is CC[C@@H](C(=O)NC1CCCC1)n1ncc(N2CCNCC2)cc1=O.
What is the InChIKey of (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
The InChIKey is JYOQGANLDTXIQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-15(17(24)20-13-5-3-4-6-13)22-16(23)11-14(12-19-22)21-9-7-18-8-10-21/h11-13,15,18H,2-10H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
(2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide has a molecular weight of 333.44 g/mol, XLogP of 0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide is sourced from PubChem (CID 97278609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).