methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate

C23H22F2N2O4 — CID 56548142

IUPACmethyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H22F2N2O4/c1-31-23(30)20-12-15-4-2-3-5-19(15)27(20)21(28)14-8-10-26(11-9-14)22(29)17-7-6-16(24)13-18(17)25/h2-7,13-14,20H,8-12H2,1H3
InChIKeyHSDKIHXFDJPPJS-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.95
Rot. Bonds3

About methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate

methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate (PubChem CID 56548142) has the molecular formula C23H22F2N2O4 and a molecular weight of 428.44 g/mol. Its IUPAC name is methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate
PubChem CID56548142
Molecular FormulaC23H22F2N2O4
Molecular Weight428.44 g/mol
Exact Mass428.15
IUPAC Namemethyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
InChIInChI=1S/C23H22F2N2O4/c1-31-23(30)20-12-15-4-2-3-5-19(15)27(20)21(28)14-8-10-26(11-9-14)22(29)17-7-6-16(24)13-18(17)25/h2-7,13-14,20H,8-12H2,1H3
InChIKeyHSDKIHXFDJPPJS-UHFFFAOYSA-N
XLogP2.95
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 38175445
N'-(cyclopropanecarbonyl)-1-(2,4-difluorobenzoyl)piperidine-4-carbohydrazide
CID 30457041
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(2-fluorophenyl)methyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 43029960
1-(2,4-difluorobenzoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 51192084
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
butyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737604
methyl (2S)-1-(2,6-dimethylpyridine-3-carbonyl)-2,3-dihydroindole-2-carboxylate
CID 95762876
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 42938814
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
(2S)-1-(cyclopropanecarbonyl)-N-methyl-2,3-dihydroindole-2-carboxamide
CID 51474982

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
The IUPAC name of methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate (CID 56548142) is methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate.
What is the SMILES notation for methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
The canonical SMILES for methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate is COC(=O)C1Cc2ccccc2N1C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1.
What is the InChIKey of methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
The InChIKey is HSDKIHXFDJPPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F2N2O4/c1-31-23(30)20-12-15-4-2-3-5-19(15)27(20)21(28)14-8-10-26(11-9-14)22(29)17-7-6-16(24)13-18(17)25/h2-7,13-14,20H,8-12H2,1H3.
What are the key properties of methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate?
methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate has a molecular weight of 428.44 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(2,4-difluorobenzoyl)piperidine-4-carbonyl]-2,3-dihydroindole-2-carboxylate is sourced from PubChem (CID 56548142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).