2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

C22H23N3OS — CID 4825491

IUPAC2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H23N3OS/c26-21(25-14-11-16-5-1-3-7-19(16)25)15-24-12-9-17(10-13-24)22-23-18-6-2-4-8-20(18)27-22/h1-8,17H,9-15H2
InChIKeyMJFVPAAATFKXCB-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.07
Rot. Bonds3

About 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone

2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (PubChem CID 4825491) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
PubChem CID4825491
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone
SMILESO=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCc2ccccc21
InChIInChI=1S/C22H23N3OS/c26-21(25-14-11-16-5-1-3-7-19(16)25)15-24-12-9-17(10-13-24)22-23-18-6-2-4-8-20(18)27-22/h1-8,17H,9-15H2
InChIKeyMJFVPAAATFKXCB-UHFFFAOYSA-N
XLogP4.07
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9206680
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 1429688
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 40625039
2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 9388934
1-(2,3-dihydroindol-1-yl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 55064419
4-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]butan-1-ol
CID 110931478
1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 8623665
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9337460
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-butylacetamide
CID 31480507
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1429633
4-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]acetyl]-1,3-dihydroquinoxalin-2-one
CID 9377928
1-[5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26528760

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone (CID 4825491) is 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is O=C(CN1CCC(c2nc3ccccc3s2)CC1)N1CCc2ccccc21.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
The InChIKey is MJFVPAAATFKXCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-21(25-14-11-16-5-1-3-7-19(16)25)15-24-12-9-17(10-13-24)22-23-18-6-2-4-8-20(18)27-22/h1-8,17H,9-15H2.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone?
2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone has a molecular weight of 377.51 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone is sourced from PubChem (CID 4825491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).