N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide

C17H26N4O3 — CID 91917506

IUPACN-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NC3CC3)C2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-24-8-7-21-17(23)10-15(11-18-21)20-6-2-3-13(12-20)9-16(22)19-14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,19,22)
InChIKeyISFNLBHSRIJCPU-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.77
Rot. Bonds7

About N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide

N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (PubChem CID 91917506) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
PubChem CID91917506
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
SMILESCOCCn1ncc(N2CCCC(CC(=O)NC3CC3)C2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-24-8-7-21-17(23)10-15(11-18-21)20-6-2-3-13(12-20)9-16(22)19-14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,19,22)
InChIKeyISFNLBHSRIJCPU-UHFFFAOYSA-N
XLogP0.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide (CID 91917506) is N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is COCCn1ncc(N2CCCC(CC(=O)NC3CC3)C2)cc1=O.
What is the InChIKey of N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
The InChIKey is ISFNLBHSRIJCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-8-7-21-17(23)10-15(11-18-21)20-6-2-3-13(12-20)9-16(22)19-14-4-5-14/h10-11,13-14H,2-9,12H2,1H3,(H,19,22).
What are the key properties of N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide?
N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 0.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 91917506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).