ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate

C18H27N3O4 — CID 25010865

IUPACethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-25-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)14-4-6-16(24-2)7-5-14/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
InChIKeyYCVADFGOJVLLSD-UHFFFAOYSA-N
MW349.43 g/mol
LogP1.64
Rot. Bonds7

About ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate

ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate (PubChem CID 25010865) has the molecular formula C18H27N3O4 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate
PubChem CID25010865
Molecular FormulaC18H27N3O4
Molecular Weight349.43 g/mol
Exact Mass349.20
IUPAC Nameethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCCNC(=O)c2ccc(OC)cc2)CC1
InChIInChI=1S/C18H27N3O4/c1-3-25-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)14-4-6-16(24-2)7-5-14/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22)
InChIKeyYCVADFGOJVLLSD-UHFFFAOYSA-N
XLogP1.64
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[N-[2-[(4-methoxybenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111328859
ethyl 4-[(4-methoxyphenyl)methylamino]piperidine-1-carboxylate
CID 2846531
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
ethyl 4-[(3S)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]piperidine-1-carboxylate
CID 46873778
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[[5-[(4-methoxybenzoyl)amino]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 113014186
ethyl 4-[[N-[2-[(3-methoxybenzoyl)amino]ethyl]-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329544
ethyl 4-[[2-[2-(4-methoxyphenoxy)ethylamino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108531181
ethyl 4-[2-[(2-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 25010852
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[[N-(2-benzamidoethyl)-N'-methylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111327510

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate (CID 25010865) is ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCCNC(=O)c2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate?
The InChIKey is YCVADFGOJVLLSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4/c1-3-25-18(23)21-12-8-15(9-13-21)19-10-11-20-17(22)14-4-6-16(24-2)7-5-14/h4-7,15,19H,3,8-13H2,1-2H3,(H,20,22).
What are the key properties of ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate?
ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate has a molecular weight of 349.43 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[(4-methoxybenzoyl)amino]ethylamino]piperidine-1-carboxylate is sourced from PubChem (CID 25010865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).