1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

C15H23N3O3 — CID 56803088

IUPAC1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCCC(O)CN1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-13(19)11-16-7-9-17(10-8-16)15(21)12-18-6-4-3-5-14(18)20/h3-6,13,19H,2,7-12H2,1H3
InChIKeyBTPQXQKNNMSJBJ-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.24
Rot. Bonds5

About 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one

1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 56803088) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
PubChem CID56803088
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
SMILESCCC(O)CN1CCN(C(=O)Cn2ccccc2=O)CC1
InChIInChI=1S/C15H23N3O3/c1-2-13(19)11-16-7-9-17(10-8-16)15(21)12-18-6-4-3-5-14(18)20/h3-6,13,19H,2,7-12H2,1H3
InChIKeyBTPQXQKNNMSJBJ-UHFFFAOYSA-N
XLogP-0.24
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(2-Hydroxy-3,3-dimethylbutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 56802221
4-[4-(2-Hydroxybutyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 56803082
1-[2-[4-(2-Hydroxypropyl)piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 56802471
1-[2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 95606989
1-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 95606990
1-[2-[4-(3-Ethoxy-2-hydroxypropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 53612623
1-[2-(4-Hydroxypiperidin-1-yl)ethyl]-3-methylpyridin-2-one
CID 57584091
1-[2-(4-Hydroxypiperidin-1-yl)ethyl]pyridin-2-one
CID 78986301
1-[3-[4-(2-Hydroxyethyl)piperazin-1-yl]-3-oxopropyl]pyridin-2-one
CID 43427927
5-Bromo-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
CID 43427928
1-[2-(2-Methylmorpholin-4-yl)-2-oxoethyl]pyridin-2-one
CID 47016407
1-[2-[4-(2-Hydroxy-2-methylpropyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 56803127

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one (CID 56803088) is 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is CCC(O)CN1CCN(C(=O)Cn2ccccc2=O)CC1.
What is the InChIKey of 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is BTPQXQKNNMSJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-2-13(19)11-16-7-9-17(10-8-16)15(21)12-18-6-4-3-5-14(18)20/h3-6,13,19H,2,7-12H2,1H3.
What are the key properties of 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one?
1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 293.37 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-hydroxybutyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 56803088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).