2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one

C16H23NO4 — CID 77096700

IUPAC2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(COC(C)C)CC2)o1
InChIInChI=1S/C16H23NO4/c1-11(2)20-10-13-4-6-17(7-5-13)16(19)15-9-14(18)8-12(3)21-15/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyNCKAIMGDPJRAMD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.23
Rot. Bonds4

About 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one

2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one (PubChem CID 77096700) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one.

Molecular Properties

Compound Name2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one
PubChem CID77096700
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(COC(C)C)CC2)o1
InChIInChI=1S/C16H23NO4/c1-11(2)20-10-13-4-6-17(7-5-13)16(19)15-9-14(18)8-12(3)21-15/h8-9,11,13H,4-7,10H2,1-3H3
InChIKeyNCKAIMGDPJRAMD-UHFFFAOYSA-N
XLogP2.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-{[(3S*,4R*)-3-hydroxy-4-(hydroxymethyl)-1-piperidinyl]methyl}-5-methoxy-4H-pyran-4-one
CID 56882884
2,3-Dihydrofuran-5-yl-(4-methylpiperidin-1-yl)methanone
CID 118911401
1-[1-(4H-pyran-2-carbonyl)piperidin-4-yl]ethanone
CID 142266390
5-methoxy-2-({4-[1-(4-morpholinyl)ethyl]-1-piperidinyl}carbonyl)-4H-pyran-4-one
CID 70734001
N-[(1-cyclopentylpiperidin-4-yl)methyl]-6-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4H-pyran-2-carboxamide
CID 72889792
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-6-methyl-4-oxo-N-(tetrahydrofuran-2-ylmethyl)-4H-pyran-2-carboxamide
CID 72890788
N,6-dimethyl-N-(4-morpholin-4-ylbutyl)-4-oxo-4H-pyran-2-carboxamide
CID 77089144
2-{[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77093367
2-methyl-6-{[4-(piperidin-1-ylcarbonyl)piperidin-1-yl]carbonyl}-4H-pyran-4-one
CID 86286476
2-[(4-isopropylpiperidin-1-yl)carbonyl]-6-methyl-4H-pyran-4-one
CID 90647765
2-methyl-6-(6-oxa-9-azaspiro[4.5]dec-9-ylcarbonyl)-4H-pyran-4-one
CID 90650230
N-ethyl-6-methyl-4-oxo-N-(tetrahydro-2H-pyran-2-ylmethyl)-4H-pyran-2-carboxamide
CID 90650524

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one?
The IUPAC name of 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one (CID 77096700) is 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one.
What is the SMILES notation for 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one?
The canonical SMILES for 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one is Cc1cc(=O)cc(C(=O)N2CCC(COC(C)C)CC2)o1.
What is the InChIKey of 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one?
The InChIKey is NCKAIMGDPJRAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-11(2)20-10-13-4-6-17(7-5-13)16(19)15-9-14(18)8-12(3)21-15/h8-9,11,13H,4-7,10H2,1-3H3.
What are the key properties of 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one?
2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one has a molecular weight of 293.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(propan-2-yloxymethyl)piperidine-1-carbonyl]pyran-4-one is sourced from PubChem (CID 77096700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).