N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

C18H29N3O4 — CID 18566899

IUPACN-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCC(C)CC1
InChIInChI=1S/C18H29N3O4/c1-14-4-7-20(8-5-14)11-15-10-16(22)17(25-3)12-21(15)13-18(23)19-6-9-24-2/h10,12,14H,4-9,11,13H2,1-3H3,(H,19,23)
InChIKeyLPTSJDLMZBGMKN-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.85
Rot. Bonds8

About N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide

N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (PubChem CID 18566899) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
PubChem CID18566899
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC NameN-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide
SMILESCOCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCC(C)CC1
InChIInChI=1S/C18H29N3O4/c1-14-4-7-20(8-5-14)11-15-10-16(22)17(25-3)12-21(15)13-18(23)19-6-9-24-2/h10,12,14H,4-9,11,13H2,1-3H3,(H,19,23)
InChIKeyLPTSJDLMZBGMKN-UHFFFAOYSA-N
XLogP0.85
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide (CID 18566899) is N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is COCCNC(=O)Cn1cc(OC)c(=O)cc1CN1CCC(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
The InChIKey is LPTSJDLMZBGMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-14-4-7-20(8-5-14)11-15-10-16(22)17(25-3)12-21(15)13-18(23)19-6-9-24-2/h10,12,14H,4-9,11,13H2,1-3H3,(H,19,23).
What are the key properties of N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide?
N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]acetamide is sourced from PubChem (CID 18566899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).