ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate

C18H25N3O5 — CID 109003771

IUPACethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C18H25N3O5/c1-3-26-18(24)21-9-7-14(8-10-21)20-16(22)12-19-15-6-4-5-13(11-15)17(23)25-2/h4-6,11,14,19H,3,7-10,12H2,1-2H3,(H,20,22)
InChIKeyDZTMQAOYGQJCGV-UHFFFAOYSA-N
MW363.41 g/mol
LogP1.62
Rot. Bonds6

About ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate (PubChem CID 109003771) has the molecular formula C18H25N3O5 and a molecular weight of 363.41 g/mol. Its IUPAC name is ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
PubChem CID109003771
Molecular FormulaC18H25N3O5
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Nameethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)CNc2cccc(C(=O)OC)c2)CC1
InChIInChI=1S/C18H25N3O5/c1-3-26-18(24)21-9-7-14(8-10-21)20-16(22)12-19-15-6-4-5-13(11-15)17(23)25-2/h4-6,11,14,19H,3,7-10,12H2,1-2H3,(H,20,22)
InChIKeyDZTMQAOYGQJCGV-UHFFFAOYSA-N
XLogP1.62
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-[[2-(3-methoxyanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003753
methyl 3-[[2-(cyclopentylamino)-2-oxoethyl]amino]benzoate
CID 108993498
ethyl 4-[(3-acetamidobenzoyl)amino]piperidine-1-carboxylate
CID 9451154
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769
ethyl 4-[[2-(1,3-benzodioxol-5-ylamino)acetyl]amino]piperidine-1-carboxylate
CID 109003787
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
N-cyclohexyl-2-[3-(piperidine-1-carbonyl)anilino]acetamide
CID 54843492
3-[[2-(cyclohexylamino)-2-oxoethyl]amino]benzamide
CID 54842743
ethyl 4-(3-bromoanilino)piperidine-1-carboxylate
CID 43762800
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate (CID 109003771) is ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)CNc2cccc(C(=O)OC)c2)CC1.
What is the InChIKey of ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate?
The InChIKey is DZTMQAOYGQJCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O5/c1-3-26-18(24)21-9-7-14(8-10-21)20-16(22)12-19-15-6-4-5-13(11-15)17(23)25-2/h4-6,11,14,19H,3,7-10,12H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-(3-methoxycarbonylanilino)acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 109003771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).