[4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone

C24H30N4O3 — CID 118063528

IUPAC[4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCN(c3cccc4c3OCCO4)CC2)cc1)N1CCNCC1
InChIInChI=1S/C24H30N4O3/c29-24(28-10-8-25-9-11-28)20-6-4-19(5-7-20)18-26-12-14-27(15-13-26)21-2-1-3-22-23(21)31-17-16-30-22/h1-7,25H,8-18H2
InChIKeyGDHHJHBVAGUFCS-UHFFFAOYSA-N
MW422.53 g/mol
LogP1.83
Rot. Bonds4

About [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone

[4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone (PubChem CID 118063528) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone
PubChem CID118063528
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name[4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(CN2CCN(c3cccc4c3OCCO4)CC2)cc1)N1CCNCC1
InChIInChI=1S/C24H30N4O3/c29-24(28-10-8-25-9-11-28)20-6-4-19(5-7-20)18-26-12-14-27(15-13-26)21-2-1-3-22-23(21)31-17-16-30-22/h1-7,25H,8-18H2
InChIKeyGDHHJHBVAGUFCS-UHFFFAOYSA-N
XLogP1.83
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone with MolForge

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Related Compounds

piperazin-1-yl-[4-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 39284007
[3-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]boronic acid
CID 20651358
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanol
CID 10683038
N-[2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethyl]-4-fluorobenzamide
CID 10430183
[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 31361933
ethane;methyl 2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]acetate
CID 69265331
2-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]ethanethiol
CID 125482847
3,3,5,5-tetradeuterio-1-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazine;hydrochloride
CID 169439716
1-(3,4-dihydro-2H-1,5-benzodioxepin-6-yl)-4-[(3-phenylphenyl)methyl]piperazine
CID 10873075
[4-[(2,3-dihydro-1,4-benzodioxin-5-ylamino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 71862526
(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone
CID 39758995
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperazine;yttrium
CID 58356862

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone (CID 118063528) is [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone is O=C(c1ccc(CN2CCN(c3cccc4c3OCCO4)CC2)cc1)N1CCNCC1.
What is the InChIKey of [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone?
The InChIKey is GDHHJHBVAGUFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3/c29-24(28-10-8-25-9-11-28)20-6-4-19(5-7-20)18-26-12-14-27(15-13-26)21-2-1-3-22-23(21)31-17-16-30-22/h1-7,25H,8-18H2.
What are the key properties of [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone?
[4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone has a molecular weight of 422.53 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]methyl]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 118063528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).