2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one

C15H25N3O2 — CID 82218113

IUPAC2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one
SMILESCCCn1cc(O)c(=O)cc1CN1CCN(CC)CC1
InChIInChI=1S/C15H25N3O2/c1-3-5-18-12-15(20)14(19)10-13(18)11-17-8-6-16(4-2)7-9-17/h10,12,20H,3-9,11H2,1-2H3
InChIKeyKLUIFZJTGXCOBB-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.10
Rot. Bonds5

About 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one

2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one (PubChem CID 82218113) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one.

Molecular Properties

Compound Name2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one
PubChem CID82218113
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one
SMILESCCCn1cc(O)c(=O)cc1CN1CCN(CC)CC1
InChIInChI=1S/C15H25N3O2/c1-3-5-18-12-15(20)14(19)10-13(18)11-17-8-6-16(4-2)7-9-17/h10,12,20H,3-9,11H2,1-2H3
InChIKeyKLUIFZJTGXCOBB-UHFFFAOYSA-N
XLogP1.10
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.10
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
7-hydroxy-2-(2-methylpropyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
CID 155518634
4(1H)-Pyridinone, 2-ethyl-3-hydroxy-1-(2-propenyl)-
CID 3079582
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
1-Butyl-5-hydroxy-2-methylpyridin-4-one
CID 22367253
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

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one?
The IUPAC name of 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one (CID 82218113) is 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one.
What is the SMILES notation for 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one?
The canonical SMILES for 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one is CCCn1cc(O)c(=O)cc1CN1CCN(CC)CC1.
What is the InChIKey of 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one?
The InChIKey is KLUIFZJTGXCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-3-5-18-12-15(20)14(19)10-13(18)11-17-8-6-16(4-2)7-9-17/h10,12,20H,3-9,11H2,1-2H3.
What are the key properties of 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one?
2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one has a molecular weight of 279.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-1-propylpyridin-4-one is sourced from PubChem (CID 82218113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).