3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

C20H23N3OS — CID 110114301

IUPAC3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC1(c2nccs2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H23N3OS/c1-20(19-21-10-13-25-19)8-11-23(12-9-20)18(24)7-6-15-14-22-17-5-3-2-4-16(15)17/h2-5,10,13-14,22H,6-9,11-12H2,1H3
InChIKeyYHKXJIKIDAMCKM-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.14
Rot. Bonds4

About 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one

3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (PubChem CID 110114301) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
PubChem CID110114301
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
SMILESCC1(c2nccs2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H23N3OS/c1-20(19-21-10-13-25-19)8-11-23(12-9-20)18(24)7-6-15-14-22-17-5-3-2-4-16(15)17/h2-5,10,13-14,22H,6-9,11-12H2,1H3
InChIKeyYHKXJIKIDAMCKM-UHFFFAOYSA-N
XLogP4.14
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylmorpholin-4-yl)-3-(1H-indol-3-yl)propan-1-one
CID 35017812
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
1-[4-(2-bromobenzoyl)piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one
CID 42534114
1-(3,6-dihydro-2H-pyridin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 115969994
1-[4-(1H-indol-3-yl)butanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 119256041
1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)-3-(1H-indol-3-yl)propan-1-one
CID 110156926
3-(1H-indol-3-yl)-1-(4-pyrazin-2-ylpiperidin-1-yl)propan-1-one
CID 155983427
4-[4-(1H-indol-3-yl)butanoyl]-N-[1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]piperazine-1-carboxamide
CID 45370840
(4S)-8-[3-(1H-indol-3-yl)propanoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97190781
8-[3-(1H-indol-3-yl)propanoyl]-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72856512
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one (CID 110114301) is 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is CC1(c2nccs2)CCN(C(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
The InChIKey is YHKXJIKIDAMCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-20(19-21-10-13-25-19)8-11-23(12-9-20)18(24)7-6-15-14-22-17-5-3-2-4-16(15)17/h2-5,10,13-14,22H,6-9,11-12H2,1H3.
What are the key properties of 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one?
3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one has a molecular weight of 353.49 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-1-[4-methyl-4-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 110114301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).