2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide

C18H29N5O3 — CID 70724839

IUPAC2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)CN3CCCC(O)C3)CC2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-21-18(26)9-15(11-20-21)23-7-4-14(5-8-23)10-19-17(25)13-22-6-2-3-16(24)12-22/h9,11,14,16,24H,2-8,10,12-13H2,1H3,(H,19,25)
InChIKeyXIKHYWGEGWKVQN-UHFFFAOYSA-N
MW363.46 g/mol
LogP-0.43
Rot. Bonds5

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

2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide (PubChem CID 70724839) has the molecular formula C18H29N5O3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
PubChem CID70724839
Molecular FormulaC18H29N5O3
Molecular Weight363.46 g/mol
Exact Mass363.23
IUPAC Name2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide
SMILESCn1ncc(N2CCC(CNC(=O)CN3CCCC(O)C3)CC2)cc1=O
InChIInChI=1S/C18H29N5O3/c1-21-18(26)9-15(11-20-21)23-7-4-14(5-8-23)10-19-17(25)13-22-6-2-3-16(24)12-22/h9,11,14,16,24H,2-8,10,12-13H2,1H3,(H,19,25)
InChIKeyXIKHYWGEGWKVQN-UHFFFAOYSA-N
XLogP-0.43
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide (CID 70724839) is 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide is Cn1ncc(N2CCC(CNC(=O)CN3CCCC(O)C3)CC2)cc1=O.
What is the InChIKey of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
The InChIKey is XIKHYWGEGWKVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O3/c1-21-18(26)9-15(11-20-21)23-7-4-14(5-8-23)10-19-17(25)13-22-6-2-3-16(24)12-22/h9,11,14,16,24H,2-8,10,12-13H2,1H3,(H,19,25).
What are the key properties of 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide?
2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide has a molecular weight of 363.46 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypiperidin-1-yl)-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 70724839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).