3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one

C19H25N3O2 — CID 110283738

IUPAC3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one
SMILESC=CCCCN1CCNC(CC(=O)N2CCc3ccccc32)C1=O
InChIInChI=1S/C19H25N3O2/c1-2-3-6-11-21-13-10-20-16(19(21)24)14-18(23)22-12-9-15-7-4-5-8-17(15)22/h2,4-5,7-8,16,20H,1,3,6,9-14H2
InChIKeyMKVIWZNQROBRTM-UHFFFAOYSA-N
MW327.43 g/mol
LogP1.73
Rot. Bonds6

About 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one

3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one (PubChem CID 110283738) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one.

Molecular Properties

Compound Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one
PubChem CID110283738
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one
SMILESC=CCCCN1CCNC(CC(=O)N2CCc3ccccc32)C1=O
InChIInChI=1S/C19H25N3O2/c1-2-3-6-11-21-13-10-20-16(19(21)24)14-18(23)22-12-9-15-7-4-5-8-17(15)22/h2,4-5,7-8,16,20H,1,3,6,9-14H2
InChIKeyMKVIWZNQROBRTM-UHFFFAOYSA-N
XLogP1.73
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283062
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-methylpiperazin-2-one;hydrochloride
CID 110282474
3-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-ethylpiperazin-2-one
CID 110282575
1-(2,3-dihydroindol-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509706
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 112509738
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1-prop-2-enylpiperazin-2-one;hydrochloride
CID 110283038
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-(2,3-dihydroindol-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110857015
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1,3-dihydroindol-2-one
CID 86867538

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one?
The IUPAC name of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one (CID 110283738) is 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one.
What is the SMILES notation for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one?
The canonical SMILES for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one is C=CCCCN1CCNC(CC(=O)N2CCc3ccccc32)C1=O.
What is the InChIKey of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one?
The InChIKey is MKVIWZNQROBRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-2-3-6-11-21-13-10-20-16(19(21)24)14-18(23)22-12-9-15-7-4-5-8-17(15)22/h2,4-5,7-8,16,20H,1,3,6,9-14H2.
What are the key properties of 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one?
3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one has a molecular weight of 327.43 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-1-pent-4-enylpiperazin-2-one is sourced from PubChem (CID 110283738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).