ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate

C18H23N3O4 — CID 110768127

IUPACethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)21-7-5-14(6-8-21)19-16(22)10-12-3-4-15-13(9-12)11-17(23)20-15/h3-4,9,14H,2,5-8,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyKXNCFZCRVCNXDH-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.46
Rot. Bonds4

About ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate (PubChem CID 110768127) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
PubChem CID110768127
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC Nameethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CC(=O)N3)CC1
InChIInChI=1S/C18H23N3O4/c1-2-25-18(24)21-7-5-14(6-8-21)19-16(22)10-12-3-4-15-13(9-12)11-17(23)20-15/h3-4,9,14H,2,5-8,10-11H2,1H3,(H,19,22)(H,20,23)
InChIKeyKXNCFZCRVCNXDH-UHFFFAOYSA-N
XLogP1.46
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 110766816
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CID 24554705
ethyl 4-[[2-(1,3-benzoxazol-6-yl)acetyl]amino]piperidine-1-carboxylate
CID 110771796
N'-methyl-2-(2-oxo-1,3-dihydroindol-5-yl)acetohydrazide
CID 116846191
N-(4-aminocyclohexyl)-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119477259
N-[(3R)-2,6-dioxopiperidin-3-yl]-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 154591725
ethyl 4-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]amino]piperidine-1-carboxylate
CID 110773503
ethyl 4-[[(4S)-6-methoxy-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]piperidine-1-carboxylate
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1-acetyl-N-[(2-oxo-1,3-dihydroindol-5-yl)methyl]piperidine-4-carboxamide
CID 110793835
N-(2-ethoxyphenyl)-2-(2-oxo-1,3-dihydroindol-5-yl)acetamide
CID 110768181
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[4-(4-tert-butylphenyl)butanoylamino]piperidine-1-carboxylate
CID 110355792

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate (CID 110768127) is ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)Cc2ccc3c(c2)CC(=O)N3)CC1.
What is the InChIKey of ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is KXNCFZCRVCNXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-2-25-18(24)21-7-5-14(6-8-21)19-16(22)10-12-3-4-15-13(9-12)11-17(23)20-15/h3-4,9,14H,2,5-8,10-11H2,1H3,(H,19,22)(H,20,23).
What are the key properties of ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(2-oxo-1,3-dihydroindol-5-yl)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 110768127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).