2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one

C15H21NO3 — CID 99926190

IUPAC2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCC[C@]1(C)CCCN(C(=O)c2cc(=O)cc(C)o2)C1
InChIInChI=1S/C15H21NO3/c1-4-15(3)6-5-7-16(10-15)14(18)13-9-12(17)8-11(2)19-13/h8-9H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyVQRQFBJNSMBLTK-OAHLLOKOSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds2

About 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one

2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 99926190) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID99926190
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one
SMILESCC[C@]1(C)CCCN(C(=O)c2cc(=O)cc(C)o2)C1
InChIInChI=1S/C15H21NO3/c1-4-15(3)6-5-7-16(10-15)14(18)13-9-12(17)8-11(2)19-13/h8-9H,4-7,10H2,1-3H3/t15-/m1/s1
InChIKeyVQRQFBJNSMBLTK-OAHLLOKOSA-N
XLogP2.60
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-3-carbonitrile
CID 77080803
2-(2,8-diazaspiro[4.5]dec-2-ylcarbonyl)-6-methyl-4H-pyran-4-one
CID 91788854
2-{[(3R*,4S*)-4-hydroxy-3,4-dimethylpiperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 70713331
2-{[(4S*)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 70738744
2-[3-(dimethylamino)propyl]-9-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72880630
2-[(3-ethyl-3-methylpiperidin-1-yl)carbonyl]-6-methyl-4H-pyran-4-one
CID 77078709
N,4-dimethyl-1-[(6-methyl-4-oxo-4H-pyran-2-yl)carbonyl]piperidine-4-carboxamide
CID 77090780
2-{[4-ethyl-4-(hydroxymethyl)piperidin-1-yl]carbonyl}-6-methyl-4H-pyran-4-one
CID 77093367
2-(4-Hydroxy-3,3,4-trimethylpiperidine-1-carbonyl)-6-methylpyran-4-one
CID 77850436
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
2-({4-[1-(dimethylamino)ethyl]piperidin-1-yl}carbonyl)-6-methyl-4H-pyran-4-one
CID 91795923

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one (CID 99926190) is 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one is CC[C@]1(C)CCCN(C(=O)c2cc(=O)cc(C)o2)C1.
What is the InChIKey of 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is VQRQFBJNSMBLTK-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21NO3/c1-4-15(3)6-5-7-16(10-15)14(18)13-9-12(17)8-11(2)19-13/h8-9H,4-7,10H2,1-3H3/t15-/m1/s1.
What are the key properties of 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one has a molecular weight of 263.34 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 99926190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).