1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one

C17H26N2O3 — CID 56760575

IUPAC1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCC[C@H]1CN(C(=O)CCn2c(C)cccc2=O)CC[C@@]1(C)O
InChIInChI=1S/C17H26N2O3/c1-4-14-12-18(11-9-17(14,3)22)15(20)8-10-19-13(2)6-5-7-16(19)21/h5-7,14,22H,4,8-12H2,1-3H3/t14-,17+/m0/s1
InChIKeyASZFJXDCCNCKNR-WMLDXEAASA-N
MW306.41 g/mol
LogP1.56
Rot. Bonds4

About 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one

1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 56760575) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID56760575
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCC[C@H]1CN(C(=O)CCn2c(C)cccc2=O)CC[C@@]1(C)O
InChIInChI=1S/C17H26N2O3/c1-4-14-12-18(11-9-17(14,3)22)15(20)8-10-19-13(2)6-5-7-16(19)21/h5-7,14,22H,4,8-12H2,1-3H3/t14-,17+/m0/s1
InChIKeyASZFJXDCCNCKNR-WMLDXEAASA-N
XLogP1.56
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (CID 56760575) is 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is CC[C@H]1CN(C(=O)CCn2c(C)cccc2=O)CC[C@@]1(C)O.
What is the InChIKey of 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is ASZFJXDCCNCKNR-WMLDXEAASA-N. The full InChI is InChI=1S/C17H26N2O3/c1-4-14-12-18(11-9-17(14,3)22)15(20)8-10-19-13(2)6-5-7-16(19)21/h5-7,14,22H,4,8-12H2,1-3H3/t14-,17+/m0/s1.
What are the key properties of 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3S,4R)-3-ethyl-4-hydroxy-4-methylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 56760575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).