ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate

C24H27N3O5 — CID 5307705

IUPACethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)CC1
InChIInChI=1S/C24H27N3O5/c1-3-32-24(30)26-13-11-17(12-14-26)25-22(28)20-6-4-5-16-15-27(23(29)21(16)20)18-7-9-19(31-2)10-8-18/h4-10,17H,3,11-15H2,1-2H3,(H,25,28)
InChIKeyXINSMRKQRPCGCW-UHFFFAOYSA-N
MW437.50 g/mol
LogP3.21
Rot. Bonds5

About ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 5307705) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate
PubChem CID5307705
Molecular FormulaC24H27N3O5
Molecular Weight437.50 g/mol
Exact Mass437.20
IUPAC Nameethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)CC1
InChIInChI=1S/C24H27N3O5/c1-3-32-24(30)26-13-11-17(12-14-26)25-22(28)20-6-4-5-16-15-27(23(29)21(16)20)18-7-9-19(31-2)10-8-18/h4-10,17H,3,11-15H2,1-2H3,(H,25,28)
InChIKeyXINSMRKQRPCGCW-UHFFFAOYSA-N
XLogP3.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

Etomidoline
CID 3309
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
Amphotalide
CID 71806
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 721269
(4S)-4-amino-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-(4-phenoxyphenyl)pentanamide
CID 24901643
2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethoxy)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]benzoic acid
CID 132055304
2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carboxylic acid
CID 5309875
2-(4-methoxyphenyl)-1,3-dioxo-N-[3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]isoindole-5-carboxamide
CID 10578715
N-[(2S)-2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 10626910
N-[2-hydroxy-3-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-2-(4-methoxyphenyl)-1,3-dioxoisoindole-5-carboxamide
CID 10626911
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-(4-methoxy-phenyl)-propionamide
CID 682229
N-(2-ethoxyphenyl)-2-ethyl-1,3-dioxo-5-isoindolinecarboxamide
CID 1331949

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate (CID 5307705) is ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc3c2C(=O)N(c2ccc(OC)cc2)C3)CC1.
What is the InChIKey of ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is XINSMRKQRPCGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-3-32-24(30)26-13-11-17(12-14-26)25-22(28)20-6-4-5-16-15-27(23(29)21(16)20)18-7-9-19(31-2)10-8-18/h4-10,17H,3,11-15H2,1-2H3,(H,25,28).
What are the key properties of ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 437.50 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(4-methoxyphenyl)-3-oxo-1H-isoindole-4-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 5307705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).