ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

C17H25N3O4 — CID 109003643

IUPACethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-3-24-17(22)20-9-7-13(8-10-20)18-12-16(21)19-14-5-4-6-15(11-14)23-2/h4-6,11,13,18H,3,7-10,12H2,1-2H3,(H,19,21)
InChIKeyWRFRKFYUAWWCGU-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.84
Rot. Bonds6

About ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 109003643) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID109003643
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Nameethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)Nc2cccc(OC)c2)CC1
InChIInChI=1S/C17H25N3O4/c1-3-24-17(22)20-9-7-13(8-10-20)18-12-16(21)19-14-5-4-6-15(11-14)23-2/h4-6,11,13,18H,3,7-10,12H2,1-2H3,(H,19,21)
InChIKeyWRFRKFYUAWWCGU-UHFFFAOYSA-N
XLogP1.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003606
ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003652
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-[2-(3-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003882
ethyl 4-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003641
ethyl 4-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352748
ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003626
N-(3-butan-2-yloxyphenyl)-2-(cyclopropylamino)acetamide
CID 62327374
ethyl 4-[4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoyl]piperazine-1-carboxylate
CID 35508706
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 109003643) is ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)Nc2cccc(OC)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is WRFRKFYUAWWCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-24-17(22)20-9-7-13(8-10-20)18-12-16(21)19-14-5-4-6-15(11-14)23-2/h4-6,11,13,18H,3,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109003643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).