(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone

C15H16N2O3 — CID 23104893

IUPAC(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc2cc(O)ccc2cc1O)N1CCNCC1
InChIInChI=1S/C15H16N2O3/c18-12-2-1-10-9-14(19)13(8-11(10)7-12)15(20)17-5-3-16-4-6-17/h1-2,7-9,16,18-19H,3-6H2
InChIKeyAVASMHZRTFHMNR-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.30
Rot. Bonds1

About (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone

(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone (PubChem CID 23104893) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone
PubChem CID23104893
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone
SMILESO=C(c1cc2cc(O)ccc2cc1O)N1CCNCC1
InChIInChI=1S/C15H16N2O3/c18-12-2-1-10-9-14(19)13(8-11(10)7-12)15(20)17-5-3-16-4-6-17/h1-2,7-9,16,18-19H,3-6H2
InChIKeyAVASMHZRTFHMNR-UHFFFAOYSA-N
XLogP1.30
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,7-dihydroxynaphthalene-2-carboxylic acid
CID 158168218
(6-hydroxyquinolin-2-yl)-piperazin-1-ylmethanone
CID 150186981
4-hydroxy-3-(piperazine-1-carbonyl)benzaldehyde
CID 118198765
(5-ethoxy-2-hydroxyphenyl)-piperazin-1-ylmethanone
CID 82265444
(4-hydroxy-2,6-dimethylphenyl)-piperazin-1-ylmethanone
CID 82266519
(4-hydroxy-4-methylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 80710393
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 87030057
7-methoxy-3-(piperazine-1-carbonyl)chromen-2-one
CID 39161891
(4-bromo-2-methylphenyl)-piperazin-1-ylmethanone
CID 43629489
[2-hydroxy-6-(3-hydroxyphenyl)naphthalen-1-yl]-piperazin-1-ylmethanone
CID 24949710
7-hydroxy-3-(piperidine-1-carbonyl)chromen-2-one
CID 122206892
5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
CID 61406146

Frequently Asked Questions

What is the IUPAC name of (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone (CID 23104893) is (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone is O=C(c1cc2cc(O)ccc2cc1O)N1CCNCC1.
What is the InChIKey of (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone?
The InChIKey is AVASMHZRTFHMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c18-12-2-1-10-9-14(19)13(8-11(10)7-12)15(20)17-5-3-16-4-6-17/h1-2,7-9,16,18-19H,3-6H2.
What are the key properties of (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone?
(3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone has a molecular weight of 272.30 g/mol, XLogP of 1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,7-dihydroxynaphthalen-2-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 23104893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).