ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate

C18H27N5O3 — CID 121118763

IUPACethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(c3ccc(C)nn3)CC2)CC1
InChIInChI=1S/C18H27N5O3/c1-3-26-18(25)23-12-10-22(11-13-23)17(24)15-6-8-21(9-7-15)16-5-4-14(2)19-20-16/h4-5,15H,3,6-13H2,1-2H3
InChIKeyYNISPAMXAKGOTM-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.30
Rot. Bonds3

About ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate

ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate (PubChem CID 121118763) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
PubChem CID121118763
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Nameethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CCN(c3ccc(C)nn3)CC2)CC1
InChIInChI=1S/C18H27N5O3/c1-3-26-18(25)23-12-10-22(11-13-23)17(24)15-6-8-21(9-7-15)16-5-4-14(2)19-20-16/h4-5,15H,3,6-13H2,1-2H3
InChIKeyYNISPAMXAKGOTM-UHFFFAOYSA-N
XLogP1.30
TPSA78.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]methanone
CID 110727399
ethyl 4-[1-[6-(4-propan-2-ylphenyl)sulfanylpyridazin-3-yl]piperidine-4-carbonyl]piperazine-1-carboxylate
CID 50768355
[4-(3-methylphenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 71794792
ethyl 4-(cyclopropanecarbonyl)piperazine-1-carboxylate
CID 30148055
[4-(3-chlorophenyl)piperazin-1-yl]-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]methanone
CID 121118770
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
ethyl 1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-3-carboxylate
CID 121118394
ethyl 4-(1-acetylpiperidine-4-carbonyl)piperazine-1-carboxylate
CID 110686039
1-[1-(6-methylpyridazin-3-yl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 121118396
ethyl 1-[1-[6-(5-bromothiophen-2-yl)pyridazin-3-yl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 20947358
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810
3-methyl-6-(4-prop-1-en-2-ylpiperidin-1-yl)pyridazine
CID 89276627

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate (CID 121118763) is ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CCN(c3ccc(C)nn3)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
The InChIKey is YNISPAMXAKGOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-3-26-18(25)23-12-10-22(11-13-23)17(24)15-6-8-21(9-7-15)16-5-4-14(2)19-20-16/h4-5,15H,3,6-13H2,1-2H3.
What are the key properties of ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate has a molecular weight of 361.45 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(6-methylpyridazin-3-yl)piperidine-4-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 121118763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).