3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one

C22H30N4O3 — CID 71700816

IUPAC3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3/c1-23-19(16-25-11-13-29-14-12-25)15-21(27)22(28)20(23)17-24-7-9-26(10-8-24)18-5-3-2-4-6-18/h2-6,15,28H,7-14,16-17H2,1H3
InChIKeyDHUGEEIOGKASQP-UHFFFAOYSA-N
MW398.51 g/mol
LogP1.25
Rot. Bonds5

About 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one

3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one (PubChem CID 71700816) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
PubChem CID71700816
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one
SMILESCn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H30N4O3/c1-23-19(16-25-11-13-29-14-12-25)15-21(27)22(28)20(23)17-24-7-9-26(10-8-24)18-5-3-2-4-6-18/h2-6,15,28H,7-14,16-17H2,1H3
InChIKeyDHUGEEIOGKASQP-UHFFFAOYSA-N
XLogP1.25
TPSA61.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one (CID 71700816) is 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one is Cn1c(CN2CCOCC2)cc(=O)c(O)c1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one?
The InChIKey is DHUGEEIOGKASQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-23-19(16-25-11-13-29-14-12-25)15-21(27)22(28)20(23)17-24-7-9-26(10-8-24)18-5-3-2-4-6-18/h2-6,15,28H,7-14,16-17H2,1H3.
What are the key properties of 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one?
3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one has a molecular weight of 398.51 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methyl-6-(morpholin-4-ylmethyl)-2-[(4-phenylpiperazin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 71700816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).