2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide

C17H26N2O4 — CID 75372461

IUPAC2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C17H26N2O4/c1-12(2)18(3)17(22)8-13-4-6-19(7-5-13)10-14-9-15(20)16(21)11-23-14/h9,11-13,21H,4-8,10H2,1-3H3
InChIKeyXOCODKRYDLHGHW-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide

2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 75372461) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID75372461
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CC1CCN(Cc2cc(=O)c(O)co2)CC1
InChIInChI=1S/C17H26N2O4/c1-12(2)18(3)17(22)8-13-4-6-19(7-5-13)10-14-9-15(20)16(21)11-23-14/h9,11-13,21H,4-8,10H2,1-3H3
InChIKeyXOCODKRYDLHGHW-UHFFFAOYSA-N
XLogP1.81
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[(3-aminopyrrolidin-1-yl)methyl]-5-hydroxypyran-4-one
CID 62068490
5-hydroxy-2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]pyran-4-one
CID 78995679
2-[[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-3-yl]methylamino]acetic acid
CID 106813854
5-[(4-hydroxypiperidin-1-yl)methyl]-N-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 56746235
2-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-5-hydroxypyran-4-one;hydrochloride
CID 52995448
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-5-hydroxypyran-4-one
CID 103442139
methyl 1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-2-carboxylate
CID 60597208
3-amino-1-[(5-hydroxy-4-oxopyran-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 107324929
5-hydroxy-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyran-4-one
CID 102788993
N-methyl-2-piperidin-4-yl-N-propan-2-ylacetamide
CID 24690049
2-[[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]methyl]-5-hydroxypyran-4-one
CID 71983402
5-[(4-ethylpiperidin-1-yl)methyl]furan-3-carbohydrazide
CID 63578224

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide (CID 75372461) is 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CC1CCN(Cc2cc(=O)c(O)co2)CC1.
What is the InChIKey of 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is XOCODKRYDLHGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-12(2)18(3)17(22)8-13-4-6-19(7-5-13)10-14-9-15(20)16(21)11-23-14/h9,11-13,21H,4-8,10H2,1-3H3.
What are the key properties of 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide?
2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 322.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-hydroxy-4-oxopyran-2-yl)methyl]piperidin-4-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 75372461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).