[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C20H22N2O4 — CID 51144884

IUPAC[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H22N2O4/c23-17-13-15-5-2-1-4-14(15)12-16(17)19(24)21-7-9-22(10-8-21)20(25)18-6-3-11-26-18/h1-2,4-5,12-13,18,23H,3,6-11H2
InChIKeySZPRHXQPQJOOOI-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.01
Rot. Bonds2

About [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 51144884) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID51144884
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(c1cc2ccccc2cc1O)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C20H22N2O4/c23-17-13-15-5-2-1-4-14(15)12-16(17)19(24)21-7-9-22(10-8-21)20(25)18-6-3-11-26-18/h1-2,4-5,12-13,18,23H,3,6-11H2
InChIKeySZPRHXQPQJOOOI-UHFFFAOYSA-N
XLogP2.01
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[4-(3-hydroxybenzoyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 108547614
oxolan-2-yl-[4-(4-phenylbenzoyl)piperazin-1-yl]methanone
CID 4782471
oxolan-2-yl-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 119074966
[(2R)-oxolan-2-yl]-[4-(5-phenyl-1,2-oxazole-4-carbonyl)-1,4-diazepan-1-yl]methanone
CID 126454402
[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51162607
oxolan-2-yl-[4-(1H-pyrrole-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110807152
N-naphthalen-1-yl-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 2979685
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 110807167
oxolan-2-yl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 108741501
[(2S)-oxolan-2-yl]-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methanone
CID 7346665
oxolan-2-yl-[4-[4-(trifluoromethyl)quinoline-3-carbonyl]piperazin-1-yl]methanone
CID 78844521

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 51144884) is [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(c1cc2ccccc2cc1O)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is SZPRHXQPQJOOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c23-17-13-15-5-2-1-4-14(15)12-16(17)19(24)21-7-9-22(10-8-21)20(25)18-6-3-11-26-18/h1-2,4-5,12-13,18,23H,3,6-11H2.
What are the key properties of [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxynaphthalene-2-carbonyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 51144884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).