[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone

C25H27N3O2S — CID 86936536

IUPAC[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2cscn2)cc1)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C25H27N3O2S/c29-25(21-5-7-23(8-6-21)30-16-22-17-31-18-26-22)27-12-9-19(10-13-27)15-28-14-11-20-3-1-2-4-24(20)28/h1-8,17-19H,9-16H2
InChIKeyDIYNGUAXNIYGDD-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.64
Rot. Bonds6

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

[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (PubChem CID 86936536) has the molecular formula C25H27N3O2S and a molecular weight of 433.58 g/mol. Its IUPAC name is [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
PubChem CID86936536
Molecular FormulaC25H27N3O2S
Molecular Weight433.58 g/mol
Exact Mass433.18
IUPAC Name[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
SMILESO=C(c1ccc(OCc2cscn2)cc1)N1CCC(CN2CCc3ccccc32)CC1
InChIInChI=1S/C25H27N3O2S/c29-25(21-5-7-23(8-6-21)30-16-22-17-31-18-26-22)27-12-9-19(10-13-27)15-28-14-11-20-3-1-2-4-24(20)28/h1-8,17-19H,9-16H2
InChIKeyDIYNGUAXNIYGDD-UHFFFAOYSA-N
XLogP4.64
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone with MolForge

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Related Compounds

[(2R)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 9488476
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 111434178
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 86936569
(4-methoxyphenyl)-[1-[4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475322
N-[2-(4-methylpiperidine-1-carbonyl)phenyl]-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87031001
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
azetidin-1-yl-[3-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134041483
[4-(4-fluorophenyl)sulfonyl-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24552260
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 134010113
(4-methoxyphenyl)-[4-[3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]methanone
CID 37435693
3-cyclohexyl-1-[4-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperazin-1-yl]propan-1-one
CID 55915816

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone (CID 86936536) is [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is O=C(c1ccc(OCc2cscn2)cc1)N1CCC(CN2CCc3ccccc32)CC1.
What is the InChIKey of [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
The InChIKey is DIYNGUAXNIYGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2S/c29-25(21-5-7-23(8-6-21)30-16-22-17-31-18-26-22)27-12-9-19(10-13-27)15-28-14-11-20-3-1-2-4-24(20)28/h1-8,17-19H,9-16H2.
What are the key properties of [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone?
[4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone has a molecular weight of 433.58 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dihydroindol-1-ylmethyl)piperidin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 86936536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).