3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

C16H22N4O3 — CID 30831093

IUPAC3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(CC1CCCC1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C16H22N4O3/c21-14-6-5-13(17-18-14)16(23)20-9-7-19(8-10-20)15(22)11-12-3-1-2-4-12/h5-6,12H,1-4,7-11H2,(H,18,21)
InChIKeyFCGVVYYSDLDHGP-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.63
Rot. Bonds3

About 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 30831093) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID30831093
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(CC1CCCC1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C16H22N4O3/c21-14-6-5-13(17-18-14)16(23)20-9-7-19(8-10-20)15(22)11-12-3-1-2-4-12/h5-6,12H,1-4,7-11H2,(H,18,21)
InChIKeyFCGVVYYSDLDHGP-UHFFFAOYSA-N
XLogP0.63
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetic acid
CID 78980909
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
3-[4-[2-(1-adamantyl)acetyl]-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 108545366
3-[3-(aminomethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805953
3-(4-propylpiperidine-1-carbonyl)-1H-pyridazin-6-one
CID 103720325
3-(4-pentanoylpiperazine-1-carbonyl)-1H-pyridazin-6-one
CID 110800607
3-[4-(3-phenylpropanoyl)-1,4-diazepane-1-carbonyl]-1H-pyridazin-6-one
CID 110808340
3-[4-(dimethylamino)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110483200
6-[4-(2-cyclopentylacetyl)-1,4-diazepane-1-carbonyl]pyridine-2-carboxylic acid
CID 119184625
3-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110803019
3-[3-[(propan-2-ylamino)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103805714
3-[4-(6-oxo-1H-pyridin-3-yl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 110745900

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 30831093) is 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is O=C(CC1CCCC1)N1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is FCGVVYYSDLDHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-14-6-5-13(17-18-14)16(23)20-9-7-19(8-10-20)15(22)11-12-3-1-2-4-12/h5-6,12H,1-4,7-11H2,(H,18,21).
What are the key properties of 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one?
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 318.38 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 30831093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).