1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one

C18H23N3O4 — CID 119471017

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CNCCN1C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H23N3O4/c1-12-10-19-4-5-20(12)18(23)13-8-17(22)21(11-13)14-2-3-15-16(9-14)25-7-6-24-15/h2-3,9,12-13,19H,4-8,10-11H2,1H3
InChIKeyKXFUGWZLMAVVLT-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.63
Rot. Bonds2

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one (PubChem CID 119471017) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
PubChem CID119471017
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
SMILESCC1CNCCN1C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C18H23N3O4/c1-12-10-19-4-5-20(12)18(23)13-8-17(22)21(11-13)14-2-3-15-16(9-14)25-7-6-24-15/h2-3,9,12-13,19H,4-8,10-11H2,1H3
InChIKeyKXFUGWZLMAVVLT-UHFFFAOYSA-N
XLogP0.63
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-ethylphenyl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 119471488
3-[(4R)-4-[(2S)-2-methylpiperazine-1-carbonyl]-2-oxopyrrolidin-1-yl]benzenesulfonamide
CID 125118581
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120554310
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879370
methyl (3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxylate
CID 94077453
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 119410414
4-(4-aminopiperidine-1-carbonyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one;hydrochloride
CID 119373957
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-5-oxopyrrolidine-3-carboxamide
CID 7858734
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide
CID 119387074
(4S)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857788
(4R)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857784
1-(1,3-benzodioxol-5-yl)-4-(3-methyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)pyrrolidin-2-one
CID 166213816

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one (CID 119471017) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one is CC1CNCCN1C(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is KXFUGWZLMAVVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-12-10-19-4-5-20(12)18(23)13-8-17(22)21(11-13)14-2-3-15-16(9-14)25-7-6-24-15/h2-3,9,12-13,19H,4-8,10-11H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 345.40 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2-methylpiperazine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 119471017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).