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

C27H32N2O3 — CID 24717643

IUPACethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(c2ccc(C)cc2)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C27H32N2O3/c1-4-32-27(31)21-8-7-15-29(17-21)26(30)16-23(20-13-11-19(2)12-14-20)24-18-28(3)25-10-6-5-9-22(24)25/h5-6,9-14,18,21,23H,4,7-8,15-17H2,1-3H3
InChIKeyVRKXUWJEJIEFNI-UHFFFAOYSA-N
MW432.56 g/mol
LogP4.81
Rot. Bonds6

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

ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate (PubChem CID 24717643) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
PubChem CID24717643
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Nameethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CC(c2ccc(C)cc2)c2cn(C)c3ccccc23)C1
InChIInChI=1S/C27H32N2O3/c1-4-32-27(31)21-8-7-15-29(17-21)26(30)16-23(20-13-11-19(2)12-14-20)24-18-28(3)25-10-6-5-9-22(24)25/h5-6,9-14,18,21,23H,4,7-8,15-17H2,1-3H3
InChIKeyVRKXUWJEJIEFNI-UHFFFAOYSA-N
XLogP4.81
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.56
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[3-(1-methylindol-3-yl)-3-thiophen-3-ylpropanoyl]piperidine-3-carboxylate
CID 42776918
ethyl 1-[3-(1-methylindol-3-yl)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 42774746
ethyl 1-[(3S)-3-(3,4-dimethoxyphenyl)-3-(1-methylindol-3-yl)propanoyl]piperidine-4-carboxylate
CID 93122468
ethyl 1-[(3S)-3-(4-fluorophenyl)-3-[1-[(4-methylphenyl)methyl]indol-3-yl]propanoyl]piperidine-4-carboxylate
CID 93114889
ethyl 1-(2-phenylbutanoyl)piperidine-3-carboxylate
CID 3273147
ethyl 1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxylate
CID 2940373
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
methyl (4S)-4-(1-methylindol-3-yl)-4-(4-methylphenyl)-2-oxobutanoate
CID 101458793
ethyl 1-(2-amino-2-phenylacetyl)piperidine-3-carboxylate
CID 76892741
ethyl (3R)-1-[(3S)-3-(1H-indol-3-yl)-3-(3-nitrophenyl)propanoyl]piperidine-3-carboxylate
CID 93122637
ethyl (3R)-1-[2-(1,2-dimethylindol-3-yl)-2-oxoacetyl]piperidine-3-carboxylate
CID 7087159

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate (CID 24717643) is ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CC(c2ccc(C)cc2)c2cn(C)c3ccccc23)C1.
What is the InChIKey of ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate?
The InChIKey is VRKXUWJEJIEFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-4-32-27(31)21-8-7-15-29(17-21)26(30)16-23(20-13-11-19(2)12-14-20)24-18-28(3)25-10-6-5-9-22(24)25/h5-6,9-14,18,21,23H,4,7-8,15-17H2,1-3H3.
What are the key properties of ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-(1-methylindol-3-yl)-3-(4-methylphenyl)propanoyl]piperidine-3-carboxylate has a molecular weight of 432.56 g/mol, XLogP of 4.81, 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-(4-methylphenyl)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 24717643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).