benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate

C22H29N5O4 — CID 70929123

IUPACbenzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccc(=O)n(CCN3CCOCC3)n2)CC1
InChIInChI=1S/C22H29N5O4/c28-21-7-6-20(23-27(21)13-8-24-14-16-30-17-15-24)25-9-11-26(12-10-25)22(29)31-18-19-4-2-1-3-5-19/h1-7H,8-18H2
InChIKeyCWQXJKWHTNREIA-UHFFFAOYSA-N
MW427.51 g/mol
LogP1.03
Rot. Bonds6

About benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate

benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate (PubChem CID 70929123) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate
PubChem CID70929123
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Namebenzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2ccc(=O)n(CCN3CCOCC3)n2)CC1
InChIInChI=1S/C22H29N5O4/c28-21-7-6-20(23-27(21)13-8-24-14-16-30-17-15-24)25-9-11-26(12-10-25)22(29)31-18-19-4-2-1-3-5-19/h1-7H,8-18H2
InChIKeyCWQXJKWHTNREIA-UHFFFAOYSA-N
XLogP1.03
TPSA80.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[(2S)-1-hydroxy-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856661
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 4-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxylate
CID 110645892
N-(3,3-diphenylpropyl)-2-(3-morpholin-4-yl-6-oxopyridazin-1-yl)acetamide
CID 52898033
benzyl 4-[(2S)-1-(4-methylpyrazol-1-yl)-3-morpholin-4-ylpropan-2-yl]piperazine-1-carboxylate
CID 156856746
benzyl 4-[(2S)-1-morpholin-4-yl-3-(2-oxopiperidin-1-yl)propan-2-yl]piperazine-1-carboxylate
CID 156856737
4-O-benzyl 1-O-[2-(oxan-4-yloxy)ethyl] piperazine-1,4-dicarboxylate
CID 58495785
benzyl 4-pyrido[2,3-b]pyrazin-6-ylpiperazine-1-carboxylate
CID 133397587
benzyl 4-(3-oxopropyl)piperazine-1-carboxylate
CID 87851629
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate?
The IUPAC name of benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate (CID 70929123) is benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2ccc(=O)n(CCN3CCOCC3)n2)CC1.
What is the InChIKey of benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate?
The InChIKey is CWQXJKWHTNREIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c28-21-7-6-20(23-27(21)13-8-24-14-16-30-17-15-24)25-9-11-26(12-10-25)22(29)31-18-19-4-2-1-3-5-19/h1-7H,8-18H2.
What are the key properties of benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate?
benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate has a molecular weight of 427.51 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[1-(2-morpholin-4-ylethyl)-6-oxopyridazin-3-yl]piperazine-1-carboxylate is sourced from PubChem (CID 70929123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).