2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone

C24H30N4O5S — CID 26044255

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)nc2)CC1
InChIInChI=1S/C24H30N4O5S/c1-26-10-12-28(13-11-26)34(30,31)20-3-5-23(25-17-20)27-8-6-18(7-9-27)24(29)19-2-4-21-22(16-19)33-15-14-32-21/h2-5,16-18H,6-15H2,1H3
InChIKeyQACCLQMYPCZXCU-UHFFFAOYSA-N
MW486.59 g/mol
LogP1.89
Rot. Bonds5

About 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone

2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone (PubChem CID 26044255) has the molecular formula C24H30N4O5S and a molecular weight of 486.59 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone
PubChem CID26044255
Molecular FormulaC24H30N4O5S
Molecular Weight486.59 g/mol
Exact Mass486.19
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone
SMILESCN1CCN(S(=O)(=O)c2ccc(N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)nc2)CC1
InChIInChI=1S/C24H30N4O5S/c1-26-10-12-28(13-11-26)34(30,31)20-3-5-23(25-17-20)27-8-6-18(7-9-27)24(29)19-2-4-21-22(16-19)33-15-14-32-21/h2-5,16-18H,6-15H2,1H3
InChIKeyQACCLQMYPCZXCU-UHFFFAOYSA-N
XLogP1.89
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.59
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1438189
1-[[6-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 26441291
3-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-yl]-6-(4-methylpiperazin-1-yl)pyridazine
CID 122336539
6-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 51300711
5-[4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)piperidin-1-yl]pyridine-2-carbonitrile
CID 133369997
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-3-methylsulfanylazepane
CID 133395006
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 772237
2,3-dihydro-1,4-benzodioxin-6-yl-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 26044416
1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-4-phenylazepane
CID 133286681
2,3-dihydro-1,4-benzodioxin-6-yl-(1-thieno[2,3-d]pyrimidin-4-ylpiperidin-4-yl)methanone
CID 26044226
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
6-[4-(4-chlorobenzoyl)piperidin-1-yl]-N-methylpyridine-3-sulfonamide
CID 133298305

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone (CID 26044255) is 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone is CN1CCN(S(=O)(=O)c2ccc(N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)nc2)CC1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone?
The InChIKey is QACCLQMYPCZXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5S/c1-26-10-12-28(13-11-26)34(30,31)20-3-5-23(25-17-20)27-8-6-18(7-9-27)24(29)19-2-4-21-22(16-19)33-15-14-32-21/h2-5,16-18H,6-15H2,1H3.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone?
2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone has a molecular weight of 486.59 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]piperidin-4-yl]methanone is sourced from PubChem (CID 26044255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).