ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate

C26H32N2O3 — CID 7357281

IUPACethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(=O)N2c3ccccc3C[C@H]2C)CC1
InChIInChI=1S/C26H32N2O3/c1-3-31-25(30)26(22-10-5-4-6-11-22)14-17-27(18-15-26)16-13-24(29)28-20(2)19-21-9-7-8-12-23(21)28/h4-12,20H,3,13-19H2,1-2H3/t20-/m1/s1
InChIKeyPAGYGLFOHMKESE-HXUWFJFHSA-N
MW420.55 g/mol
LogP3.95
Rot. Bonds6

About ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate

ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 7357281) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
PubChem CID7357281
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Nameethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCC(=O)N2c3ccccc3C[C@H]2C)CC1
InChIInChI=1S/C26H32N2O3/c1-3-31-25(30)26(22-10-5-4-6-11-22)14-17-27(18-15-26)16-13-24(29)28-20(2)19-21-9-7-8-12-23(21)28/h4-12,20H,3,13-19H2,1-2H3/t20-/m1/s1
InChIKeyPAGYGLFOHMKESE-HXUWFJFHSA-N
XLogP3.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.55
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate with MolForge

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Related Compounds

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
CID 7330983
ethyl 1-(3-oxobutyl)-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 138398169
[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589496
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109024627
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029430
ethyl 4-phenyl-1-(3,3,3-triphenylpropyl)piperidine-4-carboxylate;hydrochloride
CID 70621572
ethyl 1-amino-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 86193109
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
ethyl 1-methyl-3-phenylpyrrolidine-3-carboxylate
CID 154105831
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
ethyl 1-[2-(4-methylphenyl)sulfonylethyl]-4-phenylpiperidine-4-carboxylate;hydrochloride
CID 90481494
ethyl 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene-8-carboxylate;hydrochloride
CID 157064125

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate (CID 7357281) is ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCC(=O)N2c3ccccc3C[C@H]2C)CC1.
What is the InChIKey of ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is PAGYGLFOHMKESE-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-3-31-25(30)26(22-10-5-4-6-11-22)14-17-27(18-15-26)16-13-24(29)28-20(2)19-21-9-7-8-12-23(21)28/h4-12,20H,3,13-19H2,1-2H3/t20-/m1/s1.
What are the key properties of ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate?
ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 420.55 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 7357281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).