1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one

C21H29N3O2 — CID 54729090

IUPAC1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C21H29N3O2/c1-4-22-11-13-23(14-12-22)20(17-9-7-6-8-10-17)19-18(25)15-16(3)24(5-2)21(19)26/h6-10,15,20,25H,4-5,11-14H2,1-3H3
InChIKeyCUOMYJRRBILRSM-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.61
Rot. Bonds5

About 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one

1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one (PubChem CID 54729090) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
PubChem CID54729090
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one
SMILESCCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(CC)c2=O)CC1
InChIInChI=1S/C21H29N3O2/c1-4-22-11-13-23(14-12-22)20(17-9-7-6-8-10-17)19-18(25)15-16(3)24(5-2)21(19)26/h6-10,15,20,25H,4-5,11-14H2,1-3H3
InChIKeyCUOMYJRRBILRSM-UHFFFAOYSA-N
XLogP2.61
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one (CID 54729090) is 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one is CCN1CCN(C(c2ccccc2)c2c(O)cc(C)n(CC)c2=O)CC1.
What is the InChIKey of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is CUOMYJRRBILRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-4-22-11-13-23(14-12-22)20(17-9-7-6-8-10-17)19-18(25)15-16(3)24(5-2)21(19)26/h6-10,15,20,25H,4-5,11-14H2,1-3H3.
What are the key properties of 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one?
1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 355.48 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(4-ethylpiperazin-1-yl)-phenylmethyl]-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 54729090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).