2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one

C19H30N4O — CID 126769163

IUPAC2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one
SMILESCCCC(CC1CCCC1)C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C19H30N4O/c1-2-6-17(15-16-7-3-4-8-16)19(24)23-13-11-22(12-14-23)18-9-5-10-20-21-18/h5,9-10,16-17H,2-4,6-8,11-15H2,1H3
InChIKeyTVILDFVFXYPVRM-UHFFFAOYSA-N
MW330.48 g/mol
LogP3.12
Rot. Bonds6

About 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one

2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one (PubChem CID 126769163) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one
PubChem CID126769163
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one
SMILESCCCC(CC1CCCC1)C(=O)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C19H30N4O/c1-2-6-17(15-16-7-3-4-8-16)19(24)23-13-11-22(12-14-23)18-9-5-10-20-21-18/h5,9-10,16-17H,2-4,6-8,11-15H2,1H3
InChIKeyTVILDFVFXYPVRM-UHFFFAOYSA-N
XLogP3.12
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-one
CID 98694188
2-phenyl-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)pentan-1-one
CID 126777762
2-amino-2-(oxan-4-yl)-1-(4-pyridazin-3-ylpiperazin-1-yl)ethanone
CID 120799696
[(2R,3R)-2-ethyloxan-3-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 129479295
1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-2-propylpentan-1-one
CID 7292465
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
CID 119562388
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
1-cyclohexyl-3-[2-oxo-2-(4-pyridazin-3-ylpiperazin-1-yl)ethyl]urea
CID 154736160
2-phenoxy-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060337
(2S)-2-[[(2R)-oxolan-2-yl]methoxy]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 100843241
2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
CID 121145999
(2S)-2-[4-(2-methylpropyl)phenyl]-1-(4-pyridazin-3-yl-1,4-diazepan-1-yl)propan-1-one
CID 126771635

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one (CID 126769163) is 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one is CCCC(CC1CCCC1)C(=O)N1CCN(c2cccnn2)CC1.
What is the InChIKey of 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is TVILDFVFXYPVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-6-17(15-16-7-3-4-8-16)19(24)23-13-11-22(12-14-23)18-9-5-10-20-21-18/h5,9-10,16-17H,2-4,6-8,11-15H2,1H3.
What are the key properties of 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one?
2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 330.48 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 126769163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).