ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate

C26H30N2O3 — CID 42774746

IUPACethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(c2ccccc2)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C26H30N2O3/c1-3-31-26(30)20-13-15-28(16-14-20)25(29)17-22(19-9-5-4-6-10-19)23-18-27(2)24-12-8-7-11-21(23)24/h4-12,18,20,22H,3,13-17H2,1-2H3
InChIKeyRTMFXXUMGQDROD-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.50
Rot. Bonds6

About ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate

ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate (PubChem CID 42774746) has the molecular formula C26H30N2O3 and a molecular weight of 418.54 g/mol. Its IUPAC name is ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
PubChem CID42774746
Molecular FormulaC26H30N2O3
Molecular Weight418.54 g/mol
Exact Mass418.23
IUPAC Nameethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CC(c2ccccc2)c2cn(C)c3ccccc23)CC1
InChIInChI=1S/C26H30N2O3/c1-3-31-26(30)20-13-15-28(16-14-20)25(29)17-22(19-9-5-4-6-10-19)23-18-27(2)24-12-8-7-11-21(23)24/h4-12,18,20,22H,3,13-17H2,1-2H3
InChIKeyRTMFXXUMGQDROD-UHFFFAOYSA-N
XLogP4.50
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate
CID 93122468
ethyl 1-[3-(1,3-benzodioxol-5-yl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate
CID 42802945
ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
CID 24717643
ethyl 1-[3-(2-fluorophenyl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 45234120
ethyl 1-[3-(1-methylindol-3-yl)-3-thiophen-3-ylpropanoyl]piperidine-3-carboxylate
CID 42776918
ethyl 1-[(3S)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoyl]piperidine-4-carboxylate
CID 93114889
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
3-[1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 3449662
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(1-methylindol-3-yl)-3-phenylpropan-1-one
CID 42774748
3-(1-methylindol-3-yl)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 42774763
3-(1-methylindol-3-yl)-3-(3-methylphenyl)-1-morpholin-4-ylpropan-1-one
CID 42774723
(3S)-3-(1-methylindol-3-yl)-3-(3-phenylmethoxyphenyl)-1-pyrrolidin-1-ylpropan-1-one
CID 93064354

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate (CID 42774746) is ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CC(c2ccccc2)c2cn(C)c3ccccc23)CC1.
What is the InChIKey of ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate?
The InChIKey is RTMFXXUMGQDROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3/c1-3-31-26(30)20-13-15-28(16-14-20)25(29)17-22(19-9-5-4-6-10-19)23-18-27(2)24-12-8-7-11-21(23)24/h4-12,18,20,22H,3,13-17H2,1-2H3.
What are the key properties of ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate has a molecular weight of 418.54 g/mol, XLogP of 4.50, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 42774746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).