3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide

C29H36F3N3O — CID 24718657

IUPAC3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCCN3CCCCC3C)c3cccc(C(F)(F)F)c3)c[nH]c12
InChIInChI=1S/C29H36F3N3O/c1-3-21-10-7-13-24-26(19-34-28(21)24)25(22-11-6-12-23(17-22)29(30,31)32)18-27(36)33-14-8-16-35-15-5-4-9-20(35)2/h6-7,10-13,17,19-20,25,34H,3-5,8-9,14-16,18H2,1-2H3,(H,33,36)
InChIKeyVPEUBKSERXRAHE-UHFFFAOYSA-N
MW499.62 g/mol
LogP6.65
Rot. Bonds9

About 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide

3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 24718657) has the molecular formula C29H36F3N3O and a molecular weight of 499.62 g/mol. Its IUPAC name is 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID24718657
Molecular FormulaC29H36F3N3O
Molecular Weight499.62 g/mol
Exact Mass499.28
IUPAC Name3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide
SMILESCCc1cccc2c(C(CC(=O)NCCCN3CCCCC3C)c3cccc(C(F)(F)F)c3)c[nH]c12
InChIInChI=1S/C29H36F3N3O/c1-3-21-10-7-13-24-26(19-34-28(21)24)25(22-11-6-12-23(17-22)29(30,31)32)18-27(36)33-14-8-16-35-15-5-4-9-20(35)2/h6-7,10-13,17,19-20,25,34H,3-5,8-9,14-16,18H2,1-2H3,(H,33,36)
InChIKeyVPEUBKSERXRAHE-UHFFFAOYSA-N
XLogP6.65
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]propanamide
CID 129423231
(3R)-3-(1,7-diethylindol-3-yl)-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(3-phenoxyphenyl)propanamide
CID 129428058
(3R)-1-(4-benzylpiperidin-1-yl)-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 93122314
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(7-ethyl-1H-indol-3-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 42802333
3-(3-chlorophenyl)-3-(7-ethyl-1H-indol-3-yl)-N-propylpropanamide
CID 42774598
(3S)-N-butyl-3-(7-ethyl-1H-indol-3-yl)-3-(3-nitrophenyl)propanamide
CID 93123729
3-(7-ethyl-1H-indol-3-yl)-3-(2-fluorophenyl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 91635109
N-[2-(dimethylamino)ethyl]-3-(7-ethyl-1H-indol-3-yl)-3-(3-fluorophenyl)propanamide
CID 42802349
3-(1-methylindol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-(3-phenylmethoxyphenyl)propanamide
CID 42778020
3-(7-ethyl-1H-indol-3-yl)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 42802355
3-(2,4-dimethylphenyl)-3-(7-ethyl-1H-indol-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 42804479
3-(7-ethyl-1H-indol-3-yl)-N-(3-methoxypropyl)-3-(3-nitrophenyl)propanamide
CID 42803805

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide (CID 24718657) is 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide is CCc1cccc2c(C(CC(=O)NCCCN3CCCCC3C)c3cccc(C(F)(F)F)c3)c[nH]c12.
What is the InChIKey of 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is VPEUBKSERXRAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F3N3O/c1-3-21-10-7-13-24-26(19-34-28(21)24)25(22-11-6-12-23(17-22)29(30,31)32)18-27(36)33-14-8-16-35-15-5-4-9-20(35)2/h6-7,10-13,17,19-20,25,34H,3-5,8-9,14-16,18H2,1-2H3,(H,33,36).
What are the key properties of 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide?
3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 499.62 g/mol, XLogP of 6.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethyl-1H-indol-3-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]-3-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 24718657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).