4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one

C22H30N2O3 — CID 54703741

IUPAC4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccccc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C22H30N2O3/c1-16-9-11-23(12-10-16)21(18-7-5-4-6-8-18)20-19(25)15-17(2)24(22(20)26)13-14-27-3/h4-8,15-16,21,25H,9-14H2,1-3H3
InChIKeyXVWPTEKVOZQYAH-UHFFFAOYSA-N
MW370.49 g/mol
LogP3.33
Rot. Bonds6

About 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one

4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one (PubChem CID 54703741) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
PubChem CID54703741
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one
SMILESCOCCn1c(C)cc(O)c(C(c2ccccc2)N2CCC(C)CC2)c1=O
InChIInChI=1S/C22H30N2O3/c1-16-9-11-23(12-10-16)21(18-7-5-4-6-8-18)20-19(25)15-17(2)24(22(20)26)13-14-27-3/h4-8,15-16,21,25H,9-14H2,1-3H3
InChIKeyXVWPTEKVOZQYAH-UHFFFAOYSA-N
XLogP3.33
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one?
The IUPAC name of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one (CID 54703741) is 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one?
The canonical SMILES for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one is COCCn1c(C)cc(O)c(C(c2ccccc2)N2CCC(C)CC2)c1=O.
What is the InChIKey of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one?
The InChIKey is XVWPTEKVOZQYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-9-11-23(12-10-16)21(18-7-5-4-6-8-18)20-19(25)15-17(2)24(22(20)26)13-14-27-3/h4-8,15-16,21,25H,9-14H2,1-3H3.
What are the key properties of 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one?
4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one has a molecular weight of 370.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methoxyethyl)-6-methyl-3-[(4-methylpiperidin-1-yl)-phenylmethyl]pyridin-2-one is sourced from PubChem (CID 54703741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).