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

C17H27N5O2 — CID 72895732

IUPACN-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide
SMILESCCC(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)
InChIKeyJYOQGANLDTXIQU-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.66
Rot. Bonds5

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

N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide (PubChem CID 72895732) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide
PubChem CID72895732
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC NameN-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide
SMILESCCC(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)
InChIKeyJYOQGANLDTXIQU-UHFFFAOYSA-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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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
N-[1-(6-oxo-1H-pyridazin-4-yl)piperidin-4-yl]pentanamide
CID 91924008
N-(3-methylbutyl)-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-4-carboxamide
CID 53202079
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
N-(3-methylbutyl)-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202143
1-(6-oxo-1-propylpyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202148
N-cyclopentyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202166
N-(2-Methylpropyl)-1-(6-oxo-1-propyl-1,6-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202197
N-butyl-1-(6-oxo-1-propylpyridazin-4-yl)piperidine-4-carboxamide
CID 53202213
N-cyclopentyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203914
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
The IUPAC name of N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide (CID 72895732) is N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide.
What is the SMILES notation for N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
The canonical SMILES for N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide is CCC(C(=O)NC1CCCC1)n1ncc(N2CCNCC2)cc1=O.
What is the InChIKey of N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
The InChIKey is JYOQGANLDTXIQU-UHFFFAOYSA-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).
What are the key properties of N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide?
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 N-cyclopentyl-2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)butanamide is sourced from PubChem (CID 72895732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).