4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one

C17H25Cl2N5O2 — CID 42949697

IUPAC4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESCC1CCCCN1C(=O)CN1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C17H25Cl2N5O2/c1-13-4-2-3-5-23(13)15(25)11-21-6-8-22(9-7-21)12-24-17(26)16(19)14(18)10-20-24/h10,13H,2-9,11-12H2,1H3
InChIKeyJKFFAJWQUDPBLL-UHFFFAOYSA-N
MW402.33 g/mol
LogP1.53
Rot. Bonds4

About 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one

4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one (PubChem CID 42949697) has the molecular formula C17H25Cl2N5O2 and a molecular weight of 402.33 g/mol. Its IUPAC name is 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one
PubChem CID42949697
Molecular FormulaC17H25Cl2N5O2
Molecular Weight402.33 g/mol
Exact Mass401.14
IUPAC Name4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one
SMILESCC1CCCCN1C(=O)CN1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1
InChIInChI=1S/C17H25Cl2N5O2/c1-13-4-2-3-5-23(13)15(25)11-21-6-8-22(9-7-21)12-24-17(26)16(19)14(18)10-20-24/h10,13H,2-9,11-12H2,1H3
InChIKeyJKFFAJWQUDPBLL-UHFFFAOYSA-N
XLogP1.53
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.33
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one?
The IUPAC name of 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one (CID 42949697) is 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one?
The canonical SMILES for 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one is CC1CCCCN1C(=O)CN1CCN(Cn2ncc(Cl)c(Cl)c2=O)CC1.
What is the InChIKey of 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one?
The InChIKey is JKFFAJWQUDPBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N5O2/c1-13-4-2-3-5-23(13)15(25)11-21-6-8-22(9-7-21)12-24-17(26)16(19)14(18)10-20-24/h10,13H,2-9,11-12H2,1H3.
What are the key properties of 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one?
4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one has a molecular weight of 402.33 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-[[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 42949697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).