1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one

C15H25N3O2 — CID 82217967

IUPAC1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCN(C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-12(2)18-11-15(20)14(19)9-13(18)10-17-7-5-16(3)6-8-17/h9,11-12,20H,4-8,10H2,1-3H3
InChIKeySVQNHSCVAMXFQO-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.27
Rot. Bonds4

About 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one

1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one (PubChem CID 82217967) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
PubChem CID82217967
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one
SMILESCCC(C)n1cc(O)c(=O)cc1CN1CCN(C)CC1
InChIInChI=1S/C15H25N3O2/c1-4-12(2)18-11-15(20)14(19)9-13(18)10-17-7-5-16(3)6-8-17/h9,11-12,20H,4-8,10H2,1-3H3
InChIKeySVQNHSCVAMXFQO-UHFFFAOYSA-N
XLogP1.27
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethylbutyl)-7-hydroxy-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 129165444
5-Hydroxy-2-methyl-1-(1-methylpiperidin-4-yl)pyridin-4-one
CID 130407878
5-Hydroxy-2-methyl-1-propan-2-ylpyridin-4-one
CID 130408003
7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 155518634
3-Hydroxy-2-methyl-1-(2-piperidin-1-ylethyl)pyridin-4-one
CID 10267310
2-Ethyl-3-hydroxy-1-[2-(1-piperidinyl)ethyl]-4(1H)-pyridinone
CID 10621600
1-[2-(Diethylamino)ethyl]-3-hydroxy-2-methylpyridin-4(1H)-one
CID 21782546
1-[2-(Dimethylamino)ethyl]-3-hydroxy-2-methylpyridin-4-one
CID 24881316
7-hydroxy-1,2,3,4-tetrahydro-8H-pyrido[1,2-a]pyrazin-8-one
CID 45588801
4(1h)-Pyridinone,1-[2-(dimethylamino)ethyl]-2-ethyl-3-hydroxy-
CID 24881318
3-hydroxy-1,6-dimethyl-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 24881323
5-Hydroxy-1-methyl-2-(piperidin-1-ylmethyl)pyridin-4(1H)-one
CID 24881391

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
The IUPAC name of 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one (CID 82217967) is 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one.
What is the SMILES notation for 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
The canonical SMILES for 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one is CCC(C)n1cc(O)c(=O)cc1CN1CCN(C)CC1.
What is the InChIKey of 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
The InChIKey is SVQNHSCVAMXFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-4-12(2)18-11-15(20)14(19)9-13(18)10-17-7-5-16(3)6-8-17/h9,11-12,20H,4-8,10H2,1-3H3.
What are the key properties of 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one?
1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one has a molecular weight of 279.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-hydroxy-2-[(4-methylpiperazin-1-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82217967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).