3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one

C20H22N2O2S — CID 42774774

IUPAC3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
SMILESCn1cc(C(CC(=O)N2CCOCC2)c2cccs2)c2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-21-14-17(15-5-2-3-6-18(15)21)16(19-7-4-12-25-19)13-20(23)22-8-10-24-11-9-22/h2-7,12,14,16H,8-11,13H2,1H3
InChIKeyBAKNCBVUZQHQKG-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.62
Rot. Bonds4

About 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one

3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one (PubChem CID 42774774) has the molecular formula C20H22N2O2S and a molecular weight of 354.47 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
PubChem CID42774774
Molecular FormulaC20H22N2O2S
Molecular Weight354.47 g/mol
Exact Mass354.14
IUPAC Name3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
SMILESCn1cc(C(CC(=O)N2CCOCC2)c2cccs2)c2ccccc21
InChIInChI=1S/C20H22N2O2S/c1-21-14-17(15-5-2-3-6-18(15)21)16(19-7-4-12-25-19)13-20(23)22-8-10-24-11-9-22/h2-7,12,14,16H,8-11,13H2,1H3
InChIKeyBAKNCBVUZQHQKG-UHFFFAOYSA-N
XLogP3.62
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 42804519
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
CID 42778058
3-(1-benzylindol-3-yl)-1-(4-ethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 42774929
N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748
N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774772
1-methyl-3-(1-thiophen-2-ylethyl)indole
CID 23649825
N-(3-morpholin-4-yl-3-oxo-1-thiophen-2-ylpropyl)acetamide
CID 47017273
(3S)-1-(4-benzhydrylpiperazin-1-yl)-3-(3-fluorophenyl)-3-(1-methylindol-3-yl)propan-1-one
CID 93122576
1-methyl-3-[(1-methylindol-3-yl)-thiophen-2-ylmethyl]indole
CID 5087383
3-(3-chlorophenyl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)propan-1-one
CID 42774836

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one (CID 42774774) is 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one is Cn1cc(C(CC(=O)N2CCOCC2)c2cccs2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one?
The InChIKey is BAKNCBVUZQHQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-21-14-17(15-5-2-3-6-18(15)21)16(19-7-4-12-25-19)13-20(23)22-8-10-24-11-9-22/h2-7,12,14,16H,8-11,13H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one?
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one has a molecular weight of 354.47 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 42774774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).