ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate

C20H30N2O4 — CID 134048726

IUPACethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NCCCOC(C)c2ccccc2)C1
InChIInChI=1S/C20H30N2O4/c1-3-25-20(24)22-13-7-11-18(15-22)19(23)21-12-8-14-26-16(2)17-9-5-4-6-10-17/h4-6,9-10,16,18H,3,7-8,11-15H2,1-2H3,(H,21,23)
InChIKeyOYZOAFBTZPSKSV-UHFFFAOYSA-N
MW362.47 g/mol
LogP3.14
Rot. Bonds8

About ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate

ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate (PubChem CID 134048726) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
PubChem CID134048726
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Nameethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCCC(C(=O)NCCCOC(C)c2ccccc2)C1
InChIInChI=1S/C20H30N2O4/c1-3-25-20(24)22-13-7-11-18(15-22)19(23)21-12-8-14-26-16(2)17-9-5-4-6-10-17/h4-6,9-10,16,18H,3,7-8,11-15H2,1-2H3,(H,21,23)
InChIKeyOYZOAFBTZPSKSV-UHFFFAOYSA-N
XLogP3.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(1-phenylethoxy)propyl]cyclohexane-1-carboxamide;hydrochloride
CID 119693830
N-[3-(1-phenylethoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119273576
benzyl (3R)-3-[(2-amino-3-ethoxy-3-oxopropyl)carbamoyl]piperidine-1-carboxylate
CID 67778403
1-(2-benzhydryloxyacetyl)-N-propylpiperidine-3-carboxamide
CID 49403155
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
ethyl 4-[[N'-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111035745
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
2-methyl-1-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-3-[3-(1-phenylethoxy)propyl]guanidine
CID 111402999
(1S,6R)-9-methyl-N-[3-[(1R)-1-phenylethoxy]propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 95908517
1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907219
2-(4-cyclohexyloxypiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 86873846
2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 87017788

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate (CID 134048726) is ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCCC(C(=O)NCCCOC(C)c2ccccc2)C1.
What is the InChIKey of ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is OYZOAFBTZPSKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-3-25-20(24)22-13-7-11-18(15-22)19(23)21-12-8-14-26-16(2)17-9-5-4-6-10-17/h4-6,9-10,16,18H,3,7-8,11-15H2,1-2H3,(H,21,23).
What are the key properties of ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate?
ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(1-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 134048726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).