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

C15H21NO3 — CID 99926191

IUPAC2-[(3S)-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-/m0/s1
InChIKeyVQRQFBJNSMBLTK-HNNXBMFYSA-N
MW263.34 g/mol
LogP2.60
Rot. Bonds2

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

2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one (PubChem CID 99926191) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one.

Molecular Properties

Compound Name2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one
PubChem CID99926191
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(3S)-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-/m0/s1
InChIKeyVQRQFBJNSMBLTK-HNNXBMFYSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
The IUPAC name of 2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one (CID 99926191) is 2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one.
What is the SMILES notation for 2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
The canonical SMILES for 2-[(3S)-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-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
The InChIKey is VQRQFBJNSMBLTK-HNNXBMFYSA-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-/m0/s1.
What are the key properties of 2-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one?
2-[(3S)-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-[(3S)-3-ethyl-3-methylpiperidine-1-carbonyl]-6-methylpyran-4-one is sourced from PubChem (CID 99926191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).