[1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

C19H31N5O3 — CID 123458452

IUPAC[1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESCN1NC(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)C=CC1=O
InChIInChI=1S/C19H31N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-17,20H,2-4,7-14H2,1H3
InChIKeyBALNAADWAGTSIW-UHFFFAOYSA-N
MW377.49 g/mol
LogP0.62
Rot. Bonds3

About [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate

[1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (PubChem CID 123458452) has the molecular formula C19H31N5O3 and a molecular weight of 377.49 g/mol. Its IUPAC name is [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
PubChem CID123458452
Molecular FormulaC19H31N5O3
Molecular Weight377.49 g/mol
Exact Mass377.24
IUPAC Name[1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate
SMILESCN1NC(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)C=CC1=O
InChIInChI=1S/C19H31N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-17,20H,2-4,7-14H2,1H3
InChIKeyBALNAADWAGTSIW-UHFFFAOYSA-N
XLogP0.62
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The IUPAC name of [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate (CID 123458452) is [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The canonical SMILES for [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is CN1NC(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)C=CC1=O.
What is the InChIKey of [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
The InChIKey is BALNAADWAGTSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O3/c1-21-18(25)6-5-17(20-21)23-9-7-16(8-10-23)27-19(26)24-13-11-22(12-14-24)15-3-2-4-15/h5-6,15-17,20H,2-4,7-14H2,1H3.
What are the key properties of [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate?
[1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate has a molecular weight of 377.49 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-3-oxo-1,6-dihydropyridazin-6-yl)piperidin-4-yl] 4-cyclobutylpiperazine-1-carboxylate is sourced from PubChem (CID 123458452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).