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

C17H25N3O3 — CID 109003606

IUPACethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-23-17(22)20-9-7-14(8-10-20)18-12-16(21)19-15-6-4-5-13(2)11-15/h4-6,11,14,18H,3,7-10,12H2,1-2H3,(H,19,21)
InChIKeyMKFBCKKMKKHRQO-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.14
Rot. Bonds5

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

ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (PubChem CID 109003606) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
PubChem CID109003606
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nameethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC(=O)Nc2cccc(C)c2)CC1
InChIInChI=1S/C17H25N3O3/c1-3-23-17(22)20-9-7-14(8-10-20)18-12-16(21)19-15-6-4-5-13(2)11-15/h4-6,11,14,18H,3,7-10,12H2,1-2H3,(H,19,21)
InChIKeyMKFBCKKMKKHRQO-UHFFFAOYSA-N
XLogP2.14
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[[2-(3-methoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003643
ethyl 4-[[2-(3-bromo-4-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003641
N-(3-methylphenyl)-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695688
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl 4-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003652
ethyl 4-[[2-(4-tert-butylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003626
ethyl 4-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003675
ethyl 3-[[2-(cyclopropylamino)acetyl]amino]benzoate
CID 61260799
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
ethyl 4-[2,2-dimethyl-3-(3-methylanilino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108965342
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate (CID 109003606) is ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC(=O)Nc2cccc(C)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
The InChIKey is MKFBCKKMKKHRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-23-17(22)20-9-7-14(8-10-20)18-12-16(21)19-15-6-4-5-13(2)11-15/h4-6,11,14,18H,3,7-10,12H2,1-2H3,(H,19,21).
What are the key properties of ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methylanilino)-2-oxoethyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109003606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).