3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide

C23H29N3OS — CID 42778058

IUPAC3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
SMILESCn1cc(C(CC(=O)NCCN2CCCCC2)c2cccs2)c2ccccc21
InChIInChI=1S/C23H29N3OS/c1-25-17-20(18-8-3-4-9-21(18)25)19(22-10-7-15-28-22)16-23(27)24-11-14-26-12-5-2-6-13-26/h3-4,7-10,15,17,19H,2,5-6,11-14,16H2,1H3,(H,24,27)
InChIKeySFVIUIRMOUUHAB-UHFFFAOYSA-N
MW395.57 g/mol
LogP4.36
Rot. Bonds7

About 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide

3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide (PubChem CID 42778058) has the molecular formula C23H29N3OS and a molecular weight of 395.57 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
PubChem CID42778058
Molecular FormulaC23H29N3OS
Molecular Weight395.57 g/mol
Exact Mass395.20
IUPAC Name3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide
SMILESCn1cc(C(CC(=O)NCCN2CCCCC2)c2cccs2)c2ccccc21
InChIInChI=1S/C23H29N3OS/c1-25-17-20(18-8-3-4-9-21(18)25)19(22-10-7-15-28-22)16-23(27)24-11-14-26-12-5-2-6-13-26/h3-4,7-10,15,17,19H,2,5-6,11-14,16H2,1H3,(H,24,27)
InChIKeySFVIUIRMOUUHAB-UHFFFAOYSA-N
XLogP4.36
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.57
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methylbutyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774807
(3S)-3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-piperidin-1-ylethyl)propanamide
CID 1026696
(3S)-3-(3,5-dimethoxyphenyl)-3-(1-methylindol-3-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 92959586
N-(2-fluorophenyl)-3-(1-methylindol-3-yl)-3-thiophen-2-ylpropanamide
CID 42774772
(3S)-3-(2-fluorophenyl)-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 98762253
3-(1-methylindol-3-yl)-1-morpholin-4-yl-3-thiophen-2-ylpropan-1-one
CID 42774774
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 3336286
3-cyclohexyl-3-(1-methylindol-3-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 83285670
3-(1-methylindol-3-yl)-3-phenyl-N-(2-phenylethyl)propanamide
CID 42774761
(3S)-3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 98443792
3-(1-benzylindol-3-yl)-3-(3-phenoxyphenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 42774245
3-(4-methoxyphenyl)-3-(1-methylindol-3-yl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 42802930

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
The IUPAC name of 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide (CID 42778058) is 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide.
What is the SMILES notation for 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
The canonical SMILES for 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide is Cn1cc(C(CC(=O)NCCN2CCCCC2)c2cccs2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
The InChIKey is SFVIUIRMOUUHAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3OS/c1-25-17-20(18-8-3-4-9-21(18)25)19(22-10-7-15-28-22)16-23(27)24-11-14-26-12-5-2-6-13-26/h3-4,7-10,15,17,19H,2,5-6,11-14,16H2,1H3,(H,24,27).
What are the key properties of 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide?
3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide has a molecular weight of 395.57 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)-N-(2-piperidin-1-ylethyl)-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 42778058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).