methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate

C17H20N2O4 — CID 146137347

IUPACmethyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCCNC2=O)c2ccccc21
InChIInChI=1S/C17H20N2O4/c1-23-15(20)9-11-10-19(14-7-3-2-5-12(11)14)17(22)13-6-4-8-18-16(13)21/h2-3,5,7,11,13H,4,6,8-10H2,1H3,(H,18,21)
InChIKeyWYLGKUHXYCKJRU-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.21
Rot. Bonds3

About methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate

methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate (PubChem CID 146137347) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
PubChem CID146137347
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)C2CCCNC2=O)c2ccccc21
InChIInChI=1S/C17H20N2O4/c1-23-15(20)9-11-10-19(14-7-3-2-5-12(11)14)17(22)13-6-4-8-18-16(13)21/h2-3,5,7,11,13H,4,6,8-10H2,1H3,(H,18,21)
InChIKeyWYLGKUHXYCKJRU-UHFFFAOYSA-N
XLogP1.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[1-(oxolane-2-carbonyl)-2,3-dihydroindol-3-yl]acetate
CID 110672619
methyl 2-[1-(propan-2-ylcarbamoyl)-2,3-dihydroindol-3-yl]acetate
CID 110672730
2-[1-[(2S)-pyrrolidine-2-carbonyl]-2,3-dihydroindol-3-yl]acetic acid
CID 80573569
methyl 2-[1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52988793
methyl 2-[(3S)-1-(4-methylbenzoyl)-2,3-dihydroindol-3-yl]acetate
CID 52904842
methyl 2-[1-[3-(dimethylamino)benzoyl]-2,3-dihydroindol-3-yl]acetate
CID 110672601
(3-pentyl-2,3-dihydroindol-1-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 67614316
(3-pentyl-2,3-dihydroindol-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 67614317
methyl 2-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)acetate
CID 115031353
methyl 2-[1-[2-(4-ethoxyphenyl)acetyl]-2,3-dihydroindol-3-yl]acetate
CID 110672592
methyl 2-(1-thiophen-2-ylsulfonyl-2,3-dihydroindol-3-yl)acetate
CID 110672703
methyl 2-[1-(4-fluoro-2-methylphenyl)sulfonyl-2,3-dihydroindol-3-yl]acetate
CID 110672702

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate?
The IUPAC name of methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate (CID 146137347) is methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate is COC(=O)CC1CN(C(=O)C2CCCNC2=O)c2ccccc21.
What is the InChIKey of methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate?
The InChIKey is WYLGKUHXYCKJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-23-15(20)9-11-10-19(14-7-3-2-5-12(11)14)17(22)13-6-4-8-18-16(13)21/h2-3,5,7,11,13H,4,6,8-10H2,1H3,(H,18,21).
What are the key properties of methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate?
methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate has a molecular weight of 316.36 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(2-oxopiperidine-3-carbonyl)-2,3-dihydroindol-3-yl]acetate is sourced from PubChem (CID 146137347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).