7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one

C13H15N3O3 — CID 82500785

IUPAC7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
SMILESO=C1Nc2cc3c(cc2C1N1CCNCC1)OCO3
InChIInChI=1S/C13H15N3O3/c17-13-12(16-3-1-14-2-4-16)8-5-10-11(19-7-18-10)6-9(8)15-13/h5-6,12,14H,1-4,7H2,(H,15,17)
InChIKeyNSLDKYQLFHREMS-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.31
Rot. Bonds1

About 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one

7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one (PubChem CID 82500785) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one.

Molecular Properties

Compound Name7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
PubChem CID82500785
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
SMILESO=C1Nc2cc3c(cc2C1N1CCNCC1)OCO3
InChIInChI=1S/C13H15N3O3/c17-13-12(16-3-1-14-2-4-16)8-5-10-11(19-7-18-10)6-9(8)15-13/h5-6,12,14H,1-4,7H2,(H,15,17)
InChIKeyNSLDKYQLFHREMS-UHFFFAOYSA-N
XLogP0.31
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
CID 82491055
8-propan-2-yl-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 82184552
8-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one;hydrochloride
CID 171992088
(8S)-8-phenyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 1252620
1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66195384
7-(methylamino)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 84623465
8-(ethylamino)-2,3,6,8-tetrahydro-[1,4]dioxino[2,3-f]indol-7-one
CID 114993838
8-[4-(3-morpholin-4-ylpropoxy)phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 171387375
8-(2-methylphenyl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 2964928
2-(1,3-benzodioxol-5-yl)-2-(1,4-diazepan-1-yl)propanamide
CID 60997169
(8R)-8-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 95130349
7-[N-[4-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one
CID 90792619

Frequently Asked Questions

What is the IUPAC name of 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
The IUPAC name of 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one (CID 82500785) is 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one.
What is the SMILES notation for 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
The canonical SMILES for 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one is O=C1Nc2cc3c(cc2C1N1CCNCC1)OCO3.
What is the InChIKey of 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
The InChIKey is NSLDKYQLFHREMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13-12(16-3-1-14-2-4-16)8-5-10-11(19-7-18-10)6-9(8)15-13/h5-6,12,14H,1-4,7H2,(H,15,17).
What are the key properties of 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one?
7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one has a molecular weight of 261.28 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-piperazin-1-yl-5,7-dihydro-[1,3]dioxolo[4,5-f]indol-6-one is sourced from PubChem (CID 82500785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).