2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one

C19H31N5O2 — CID 91917457

IUPAC2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one
SMILESCCN1CCN(C(=O)CC2CCCN(c3cnn(CC)c(=O)c3)C2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-21-8-10-22(11-9-21)18(25)12-16-6-5-7-23(15-16)17-13-19(26)24(4-2)20-14-17/h13-14,16H,3-12,15H2,1-2H3
InChIKeyQKMTZTGUWLLPBV-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.03
Rot. Bonds5

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

2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 91917457) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one
PubChem CID91917457
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one
SMILESCCN1CCN(C(=O)CC2CCCN(c3cnn(CC)c(=O)c3)C2)CC1
InChIInChI=1S/C19H31N5O2/c1-3-21-8-10-22(11-9-21)18(25)12-16-6-5-7-23(15-16)17-13-19(26)24(4-2)20-14-17/h13-14,16H,3-12,15H2,1-2H3
InChIKeyQKMTZTGUWLLPBV-UHFFFAOYSA-N
XLogP1.03
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
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-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one (CID 91917457) is 2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one is CCN1CCN(C(=O)CC2CCCN(c3cnn(CC)c(=O)c3)C2)CC1.
What is the InChIKey of 2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is QKMTZTGUWLLPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-21-8-10-22(11-9-21)18(25)12-16-6-5-7-23(15-16)17-13-19(26)24(4-2)20-14-17/h13-14,16H,3-12,15H2,1-2H3.
What are the key properties of 2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one?
2-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 361.49 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-ethyl-5-[3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91917457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).