N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide

C18H30N4O3 — CID 91924084

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
SMILESCOCCn1ncc(N2CCC(NC(=O)CCC(C)C)CC2)cc1=O
InChIInChI=1S/C18H30N4O3/c1-14(2)4-5-17(23)20-15-6-8-21(9-7-15)16-12-18(24)22(19-13-16)10-11-25-3/h12-15H,4-11H2,1-3H3,(H,20,23)
InChIKeyCPMOPJPZSRHBAI-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.41
Rot. Bonds8

About N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide (PubChem CID 91924084) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
PubChem CID91924084
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide
SMILESCOCCn1ncc(N2CCC(NC(=O)CCC(C)C)CC2)cc1=O
InChIInChI=1S/C18H30N4O3/c1-14(2)4-5-17(23)20-15-6-8-21(9-7-15)16-12-18(24)22(19-13-16)10-11-25-3/h12-15H,4-11H2,1-3H3,(H,20,23)
InChIKeyCPMOPJPZSRHBAI-UHFFFAOYSA-N
XLogP1.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide (CID 91924084) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide is COCCn1ncc(N2CCC(NC(=O)CCC(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide?
The InChIKey is CPMOPJPZSRHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-14(2)4-5-17(23)20-15-6-8-21(9-7-15)16-12-18(24)22(19-13-16)10-11-25-3/h12-15H,4-11H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide has a molecular weight of 350.46 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]-4-methylpentanamide is sourced from PubChem (CID 91924084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).