ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate

C18H25N3O6 — CID 108865690

IUPACethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)Oc1ccc(NC(=O)NC2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C18H25N3O6/c1-3-25-17(23)21-11-9-14(10-12-21)20-16(22)19-13-5-7-15(8-6-13)27-18(24)26-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H2,19,20,22)
InChIKeyXGNVVVIGYBIBOE-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.96
Rot. Bonds5

About ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate

ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 108865690) has the molecular formula C18H25N3O6 and a molecular weight of 379.41 g/mol. Its IUPAC name is ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID108865690
Molecular FormulaC18H25N3O6
Molecular Weight379.41 g/mol
Exact Mass379.17
IUPAC Nameethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESCCOC(=O)Oc1ccc(NC(=O)NC2CCN(C(=O)OCC)CC2)cc1
InChIInChI=1S/C18H25N3O6/c1-3-25-17(23)21-11-9-14(10-12-21)20-16(22)19-13-5-7-15(8-6-13)27-18(24)26-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H2,19,20,22)
InChIKeyXGNVVVIGYBIBOE-UHFFFAOYSA-N
XLogP2.96
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[[4-[2-(diethylamino)ethyl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 119049002
ethyl 4-[[2-(4-acetamidoanilino)acetyl]amino]piperidine-1-carboxylate
CID 109003769
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
ethyl 4-[(3-iodophenyl)carbamoylamino]piperidine-1-carboxylate
CID 5146893
ethyl 4-[(4-chloro-3-methoxycarbonylphenyl)carbamoylamino]piperidine-1-carboxylate
CID 47040600
ethyl 4-[(3-chloro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 108989901
ethyl 4-[(3-fluoro-4-methoxyphenyl)carbamoylamino]piperidine-1-carboxylate
CID 51082659
ethyl 4-[[4-(2-methyltetrazol-5-yl)phenyl]carbamoylamino]piperidine-1-carboxylate
CID 72927518
ethyl 4-[(2,6-dichloro-4-pyridinyl)carbamoylamino]piperidine-1-carboxylate
CID 23876750
[4-[4-(ethoxycarbonylamino)piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108563374
ethyl 4-[[2-(4-acetamidoanilino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109003659
ethyl [4-(methylcarbamoylamino)phenyl] carbonate
CID 108865616

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate (CID 108865690) is ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate is CCOC(=O)Oc1ccc(NC(=O)NC2CCN(C(=O)OCC)CC2)cc1.
What is the InChIKey of ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is XGNVVVIGYBIBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O6/c1-3-25-17(23)21-11-9-14(10-12-21)20-16(22)19-13-5-7-15(8-6-13)27-18(24)26-4-2/h5-8,14H,3-4,9-12H2,1-2H3,(H2,19,20,22).
What are the key properties of ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate?
ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethoxycarbonyloxyphenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 108865690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).