4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one

C17H20N2O3 — CID 18081715

IUPAC4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
SMILESO=C1CN(CC(O)COc2cccc3ccccc23)CCN1
InChIInChI=1S/C17H20N2O3/c20-14(10-19-9-8-18-17(21)11-19)12-22-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,20H,8-12H2,(H,18,21)
InChIKeyFEZWPPQZLCMVSQ-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.01
Rot. Bonds5

About 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one

4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one (PubChem CID 18081715) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
PubChem CID18081715
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one
SMILESO=C1CN(CC(O)COc2cccc3ccccc23)CCN1
InChIInChI=1S/C17H20N2O3/c20-14(10-19-9-8-18-17(21)11-19)12-22-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,20H,8-12H2,(H,18,21)
InChIKeyFEZWPPQZLCMVSQ-UHFFFAOYSA-N
XLogP1.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-hydroxy-3-naphthalen-1-yloxypropyl)-1,4-diazepan-5-one
CID 110882982
4-[(2S)-2-hydroxy-3-phenoxypropyl]piperazin-2-one
CID 2421334
4-[2-hydroxy-3-[1-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)naphthalen-2-yl]oxypropyl]piperazin-2-one
CID 176505450
1-naphthalen-1-yloxy-3-piperidin-1-ylpropan-2-ol;hydrochloride
CID 14556459
1-[2-hydroxy-3-(2-methylphenoxy)propyl]-1,4-diazepan-5-one
CID 110908640
4-[2-hydroxy-3-(3-oxopiperazin-1-yl)propoxy]benzonitrile
CID 43213542
4-[(2S)-3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 51640549
4-[3-(4-ethylphenoxy)-2-hydroxypropyl]piperazin-2-one
CID 18086489
2-(2-hydroxy-3-naphthalen-1-yloxypropyl)-3,4-dihydro-1H-isoquinolin-6-ol
CID 166320728
1-[2-hydroxy-3-[2-(trifluoromethyl)phenoxy]propyl]-1,4-diazepan-5-one
CID 75520457
2-[2-hydroxy-3-(5-oxo-1,4-diazepan-1-yl)propoxy]benzonitrile
CID 63003932
4-[[2-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxyphenyl]methyl]piperazin-2-one
CID 45215447

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one?
The IUPAC name of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one (CID 18081715) is 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one.
What is the SMILES notation for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one?
The canonical SMILES for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one is O=C1CN(CC(O)COc2cccc3ccccc23)CCN1.
What is the InChIKey of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one?
The InChIKey is FEZWPPQZLCMVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c20-14(10-19-9-8-18-17(21)11-19)12-22-16-7-3-5-13-4-1-2-6-15(13)16/h1-7,14,20H,8-12H2,(H,18,21).
What are the key properties of 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one?
4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one has a molecular weight of 300.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperazin-2-one is sourced from PubChem (CID 18081715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).