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

C16H24N2O3 — CID 72863033

IUPAC1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1
InChIInChI=1S/C16H24N2O3/c1-12-11-17(10-8-16(12,3)21)14(19)7-9-18-13(2)5-4-6-15(18)20/h4-6,12,21H,7-11H2,1-3H3/t12-,16+/m1/s1
InChIKeyZZEVDPQRRMWGCB-WBMJQRKESA-N
MW292.38 g/mol
LogP1.17
Rot. Bonds3

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

1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (PubChem CID 72863033) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
PubChem CID72863033
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1
InChIInChI=1S/C16H24N2O3/c1-12-11-17(10-8-16(12,3)21)14(19)7-9-18-13(2)5-4-6-15(18)20/h4-6,12,21H,7-11H2,1-3H3/t12-,16+/m1/s1
InChIKeyZZEVDPQRRMWGCB-WBMJQRKESA-N
XLogP1.17
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The IUPAC name of 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one (CID 72863033) is 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one.
What is the SMILES notation for 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The canonical SMILES for 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is Cc1cccc(=O)n1CCC(=O)N1CC[C@](C)(O)[C@H](C)C1.
What is the InChIKey of 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
The InChIKey is ZZEVDPQRRMWGCB-WBMJQRKESA-N. The full InChI is InChI=1S/C16H24N2O3/c1-12-11-17(10-8-16(12,3)21)14(19)7-9-18-13(2)5-4-6-15(18)20/h4-6,12,21H,7-11H2,1-3H3/t12-,16+/m1/s1.
What are the key properties of 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one?
1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R,4S)-4-hydroxy-3,4-dimethylpiperidin-1-yl]-3-oxopropyl]-6-methylpyridin-2-one is sourced from PubChem (CID 72863033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).