3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

C20H29N5O3 — CID 136528364

IUPAC3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(C1CCCCN1C(=O)c1ccc(=O)[nH]n1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-9-8-16(21-22-18)19(27)25-10-4-3-7-17(25)20(28)24-13-11-23(12-14-24)15-5-1-2-6-15/h8-9,15,17H,1-7,10-14H2,(H,22,26)
InChIKeyHJWHSULTBLHSOF-UHFFFAOYSA-N
MW387.48 g/mol
LogP0.85
Rot. Bonds3

About 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one

3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 136528364) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
PubChem CID136528364
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Name3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
SMILESO=C(C1CCCCN1C(=O)c1ccc(=O)[nH]n1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C20H29N5O3/c26-18-9-8-16(21-22-18)19(27)25-10-4-3-7-17(25)20(28)24-13-11-23(12-14-24)15-5-1-2-6-15/h8-9,15,17H,1-7,10-14H2,(H,22,26)
InChIKeyHJWHSULTBLHSOF-UHFFFAOYSA-N
XLogP0.85
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 38390180
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
3-[2-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 120748902
N-[2-(cycloheptylamino)ethyl]-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 119620890
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
3-(2-ethylpyrrolidine-1-carbonyl)-1H-pyridazin-6-one
CID 110671096
3-[4-(2-cyclopentylacetyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 30831093
3-[2-[(4-chlorophenyl)methyl]piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 110661857
1-[(2R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidin-1-yl]ethanone;1H-pyridin-4-one
CID 143899398
3-[4-(morpholine-4-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 38489921
3-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carbonyl)-1H-pyridazin-6-one
CID 114040889
4-(6-oxo-1H-pyridazine-3-carbonyl)-N-propan-2-ylpiperazine-1-carboxamide
CID 110812163

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one (CID 136528364) is 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is O=C(C1CCCCN1C(=O)c1ccc(=O)[nH]n1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
The InChIKey is HJWHSULTBLHSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O3/c26-18-9-8-16(21-22-18)19(27)25-10-4-3-7-17(25)20(28)24-13-11-23(12-14-24)15-5-1-2-6-15/h8-9,15,17H,1-7,10-14H2,(H,22,26).
What are the key properties of 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one?
3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 387.48 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-cyclopentylpiperazine-1-carbonyl)piperidine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 136528364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).