[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

C19H19ClN2O3 — CID 120739682

IUPAC[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c20-14-6-2-1-5-13(14)15-11-21-9-10-22(15)19(23)18-12-24-16-7-3-4-8-17(16)25-18/h1-8,15,18,21H,9-12H2
InChIKeyMLBBMMSOGDJGDQ-UHFFFAOYSA-N
MW358.82 g/mol
LogP2.65
Rot. Bonds2

About [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone

[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (PubChem CID 120739682) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.82 g/mol. Its IUPAC name is [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.

Molecular Properties

Compound Name[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID120739682
Molecular FormulaC19H19ClN2O3
Molecular Weight358.82 g/mol
Exact Mass358.11
IUPAC Name[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
SMILESO=C(C1COc2ccccc2O1)N1CCNCC1c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c20-14-6-2-1-5-13(14)15-11-21-9-10-22(15)19(23)18-12-24-16-7-3-4-8-17(16)25-18/h1-8,15,18,21H,9-12H2
InChIKeyMLBBMMSOGDJGDQ-UHFFFAOYSA-N
XLogP2.65
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.82
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-[2-(2-chlorophenyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 136589492
[2-(2-chlorophenyl)piperazin-1-yl]-cyclopentylmethanone
CID 120739912
4-[2-[2-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-1,4-benzoxazin-3-one
CID 120739668
1,3-benzodioxol-5-yl-[2-(2-chlorophenyl)piperazin-1-yl]methanone;hydrochloride
CID 120739017
[2-(2-chlorophenyl)piperazin-1-yl]-(4-ethylmorpholin-2-yl)methanone
CID 120738113
[2-(2-chlorophenyl)piperazin-1-yl]-(3,3-difluorocyclobutyl)methanone;hydrochloride
CID 120738675
[2-(2-chlorophenyl)piperazin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 120738818
[2-(2-chlorophenyl)piperazin-1-yl]-spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-ylmethanone;hydrochloride
CID 120738402
4-[2-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-2-one
CID 120739774
1-[2-(2-chlorophenyl)piperazin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 120739465
[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778831
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-pyrrolidin-1-ylmethanone
CID 778829

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The IUPAC name of [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone (CID 120739682) is [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone.
What is the SMILES notation for [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The canonical SMILES for [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is O=C(C1COc2ccccc2O1)N1CCNCC1c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
The InChIKey is MLBBMMSOGDJGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c20-14-6-2-1-5-13(14)15-11-21-9-10-22(15)19(23)18-12-24-16-7-3-4-8-17(16)25-18/h1-8,15,18,21H,9-12H2.
What are the key properties of [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone?
[2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone has a molecular weight of 358.82 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone is sourced from PubChem (CID 120739682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).