2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one

C20H31N5O2 — CID 91917521

IUPAC2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one
SMILESCN1CCN(C(=O)CC2CCCN(c3cnn(CC4CC4)c(=O)c3)C2)CC1
InChIInChI=1S/C20H31N5O2/c1-22-7-9-23(10-8-22)19(26)11-17-3-2-6-24(14-17)18-12-20(27)25(21-13-18)15-16-4-5-16/h12-13,16-17H,2-11,14-15H2,1H3
InChIKeyDZCWZIVAXZPEBT-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.03
Rot. Bonds5

About 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one

2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 91917521) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one
PubChem CID91917521
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC Name2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one
SMILESCN1CCN(C(=O)CC2CCCN(c3cnn(CC4CC4)c(=O)c3)C2)CC1
InChIInChI=1S/C20H31N5O2/c1-22-7-9-23(10-8-22)19(26)11-17-3-2-6-24(14-17)18-12-20(27)25(21-13-18)15-16-4-5-16/h12-13,16-17H,2-11,14-15H2,1H3
InChIKeyDZCWZIVAXZPEBT-UHFFFAOYSA-N
XLogP1.03
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one (CID 91917521) is 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one is CN1CCN(C(=O)CC2CCCN(c3cnn(CC4CC4)c(=O)c3)C2)CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is DZCWZIVAXZPEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c1-22-7-9-23(10-8-22)19(26)11-17-3-2-6-24(14-17)18-12-20(27)25(21-13-18)15-16-4-5-16/h12-13,16-17H,2-11,14-15H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 373.50 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91917521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).