3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one

C21H26N2O3 — CID 70715638

IUPAC3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C(O)Cc3ccccc3)CC2)c(C)[nH]1
InChIInChI=1S/C21H26N2O3/c1-14-12-19(25)20(15(2)22-14)21(26)23-10-8-17(9-11-23)18(24)13-16-6-4-3-5-7-16/h3-7,12,17-18,24H,8-11,13H2,1-2H3,(H,22,25)
InChIKeyVCDKUILSSVUFBE-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds4

About 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one

3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 70715638) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one
PubChem CID70715638
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(C(=O)N2CCC(C(O)Cc3ccccc3)CC2)c(C)[nH]1
InChIInChI=1S/C21H26N2O3/c1-14-12-19(25)20(15(2)22-14)21(26)23-10-8-17(9-11-23)18(24)13-16-6-4-3-5-7-16/h3-7,12,17-18,24H,8-11,13H2,1-2H3,(H,22,25)
InChIKeyVCDKUILSSVUFBE-UHFFFAOYSA-N
XLogP2.45
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one (CID 70715638) is 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c(C(=O)N2CCC(C(O)Cc3ccccc3)CC2)c(C)[nH]1.
What is the InChIKey of 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is VCDKUILSSVUFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14-12-19(25)20(15(2)22-14)21(26)23-10-8-17(9-11-23)18(24)13-16-6-4-3-5-7-16/h3-7,12,17-18,24H,8-11,13H2,1-2H3,(H,22,25).
What are the key properties of 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one?
3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 354.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-hydroxy-2-phenylethyl)piperidine-1-carbonyl]-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 70715638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).