2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone

C18H21N3OS — CID 172891774

IUPAC2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1csc(N2CCC(C(=O)N3CCc4ccccc43)CC2)n1
InChIInChI=1S/C18H21N3OS/c1-13-12-23-18(19-13)20-9-6-15(7-10-20)17(22)21-11-8-14-4-2-3-5-16(14)21/h2-5,12,15H,6-11H2,1H3
InChIKeyOXJVHPXJDYFFSO-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.26
Rot. Bonds2

About 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone

2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone (PubChem CID 172891774) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
PubChem CID172891774
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone
SMILESCc1csc(N2CCC(C(=O)N3CCc4ccccc43)CC2)n1
InChIInChI=1S/C18H21N3OS/c1-13-12-23-18(19-13)20-9-6-15(7-10-20)17(22)21-11-8-14-4-2-3-5-16(14)21/h2-5,12,15H,6-11H2,1H3
InChIKeyOXJVHPXJDYFFSO-UHFFFAOYSA-N
XLogP3.26
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydroindol-1-yl-[1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]methanone
CID 172902407
2,3-dihydroindol-1-yl-[1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanone
CID 172901505
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172902388
[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172891749
[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 90609321
1-(2,3-dihydroindol-1-yl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 110484520
2,3-dihydroindol-1-yl-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133298996
2,3-dihydroindol-1-yl-[1-[6-(2-methylphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30363670
2,3-dihydroindol-1-yl-[1-(5,6-dimethylpyridazin-3-yl)pyrrolidin-3-yl]methanone
CID 172901325
3-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]-1-methylpyrazin-2-one
CID 172891401
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone (CID 172891774) is 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone is Cc1csc(N2CCC(C(=O)N3CCc4ccccc43)CC2)n1.
What is the InChIKey of 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone?
The InChIKey is OXJVHPXJDYFFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-13-12-23-18(19-13)20-9-6-15(7-10-20)17(22)21-11-8-14-4-2-3-5-16(14)21/h2-5,12,15H,6-11H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone?
2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone has a molecular weight of 327.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 172891774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).