ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate

C20H33N5O4 — CID 111037608

IUPACethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N/C(N)=N/CC(c2ccc(C)o2)N2CCOCC2)CC1
InChIInChI=1S/C20H33N5O4/c1-3-28-20(26)25-8-6-16(7-9-25)23-19(21)22-14-17(18-5-4-15(2)29-18)24-10-12-27-13-11-24/h4-5,16-17H,3,6-14H2,1-2H3,(H3,21,22,23)
InChIKeySXECTVWFMRVESS-UHFFFAOYSA-N
MW407.52 g/mol
LogP1.49
Rot. Bonds6

About ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate

ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate (PubChem CID 111037608) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate
PubChem CID111037608
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Nameethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N/C(N)=N/CC(c2ccc(C)o2)N2CCOCC2)CC1
InChIInChI=1S/C20H33N5O4/c1-3-28-20(26)25-8-6-16(7-9-25)23-19(21)22-14-17(18-5-4-15(2)29-18)24-10-12-27-13-11-24/h4-5,16-17H,3,6-14H2,1-2H3,(H3,21,22,23)
InChIKeySXECTVWFMRVESS-UHFFFAOYSA-N
XLogP1.49
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111029870
1-tert-butyl-2-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]guanidine
CID 111037574
ethyl 4-[[N'-(thiophen-2-ylmethyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111026488
ethyl 4-[[N'-(2-methylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 110912111
ethyl 4-[[N'-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111030448
ethyl 4-[[N'-(2-methyl-3-thiophen-2-ylpropyl)carbamimidoyl]amino]piperidine-1-carboxylate
CID 111820078
ethyl 4-[[N'-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111030447
N-ethyl-4-methyl-N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111210800
ethyl 4-[[N'-[2-(4-fluorophenyl)-2-methoxyethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111757582
ethyl 4-[[N'-[(5-methylthiophen-2-yl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111046035
ethyl 4-[[N'-[(4-hydroxyphenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111042043
ethyl 4-[[N'-[2-(diethylamino)propyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111055369

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate (CID 111037608) is ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(N/C(N)=N/CC(c2ccc(C)o2)N2CCOCC2)CC1.
What is the InChIKey of ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate?
The InChIKey is SXECTVWFMRVESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O4/c1-3-28-20(26)25-8-6-16(7-9-25)23-19(21)22-14-17(18-5-4-15(2)29-18)24-10-12-27-13-11-24/h4-5,16-17H,3,6-14H2,1-2H3,(H3,21,22,23).
What are the key properties of ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate?
ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate has a molecular weight of 407.52 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[N'-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 111037608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).