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

C18H29N3O3 — CID 27603271

IUPAC2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C18H29N3O3/c1-13(2)19-18(23)12-21-11-17(24-4)16(22)9-15(21)10-20-7-5-14(3)6-8-20/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,19,23)
InChIKeyIMOXNOYJUBMELT-UHFFFAOYSA-N
MW335.45 g/mol
LogP1.61
Rot. Bonds6

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

2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (PubChem CID 27603271) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
PubChem CID27603271
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide
SMILESCOc1cn(CC(=O)NC(C)C)c(CN2CCC(C)CC2)cc1=O
InChIInChI=1S/C18H29N3O3/c1-13(2)19-18(23)12-21-11-17(24-4)16(22)9-15(21)10-20-7-5-14(3)6-8-20/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,19,23)
InChIKeyIMOXNOYJUBMELT-UHFFFAOYSA-N
XLogP1.61
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide (CID 27603271) is 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is COc1cn(CC(=O)NC(C)C)c(CN2CCC(C)CC2)cc1=O.
What is the InChIKey of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
The InChIKey is IMOXNOYJUBMELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-13(2)19-18(23)12-21-11-17(24-4)16(22)9-15(21)10-20-7-5-14(3)6-8-20/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,19,23).
What are the key properties of 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide?
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide has a molecular weight of 335.45 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-propan-2-ylacetamide is sourced from PubChem (CID 27603271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).