ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate

C19H26N2O3 — CID 78786194

IUPACethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H26N2O3/c1-3-24-19(23)16-8-11-20(12-9-16)14(2)18(22)21-13-10-15-6-4-5-7-17(15)21/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyMVJKNGLRCNBASN-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.24
Rot. Bonds4

About ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate

ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate (PubChem CID 78786194) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
PubChem CID78786194
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Nameethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(C)C(=O)N2CCc3ccccc32)CC1
InChIInChI=1S/C19H26N2O3/c1-3-24-19(23)16-8-11-20(12-9-16)14(2)18(22)21-13-10-15-6-4-5-7-17(15)21/h4-7,14,16H,3,8-13H2,1-2H3
InChIKeyMVJKNGLRCNBASN-UHFFFAOYSA-N
XLogP2.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 100838637
N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 18131575
N-butyl-1-[1-(3,4-dihydro-2H-quinolin-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86984103
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 86773557

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate (CID 78786194) is ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(C)C(=O)N2CCc3ccccc32)CC1.
What is the InChIKey of ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate?
The InChIKey is MVJKNGLRCNBASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-3-24-19(23)16-8-11-20(12-9-16)14(2)18(22)21-13-10-15-6-4-5-7-17(15)21/h4-7,14,16H,3,8-13H2,1-2H3.
What are the key properties of ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate?
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate is sourced from PubChem (CID 78786194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).