methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate

C20H30N2O4 — CID 87012839

IUPACmethyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCCCOC(C)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O4/c1-16(17-7-4-3-5-8-17)26-14-6-11-21-19(23)15-22-12-9-18(10-13-22)20(24)25-2/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,23)
InChIKeyICQGAUHICBZQIR-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.16
Rot. Bonds9

About methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate

methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate (PubChem CID 87012839) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
PubChem CID87012839
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Namemethyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(CC(=O)NCCCOC(C)c2ccccc2)CC1
InChIInChI=1S/C20H30N2O4/c1-16(17-7-4-3-5-8-17)26-14-6-11-21-19(23)15-22-12-9-18(10-13-22)20(24)25-2/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,23)
InChIKeyICQGAUHICBZQIR-UHFFFAOYSA-N
XLogP2.16
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylic acid
CID 119907220
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
methyl 1-[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254519
methyl 1-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]piperidine-4-carboxylate
CID 8754473
2-(3-acetamidopiperidin-1-yl)-N-[3-(1-phenylethoxy)propyl]acetamide
CID 87017788
methyl 1-[2-(2-benzylsulfanylethylamino)-2-oxoethyl]piperidine-4-carboxylate
CID 8754615
N-(3-methoxypropyl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidine-4-carboxamide
CID 55909398
1-[4-[[N'-methyl-N-[3-(1-phenylethoxy)propyl]carbamimidoyl]amino]butyl]piperidine-4-carboxamide
CID 111403261
methyl 1-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 8754699
methyl 1-(2-benzhydryloxyethyl)piperidine-4-carboxylate
CID 86913313
methyl 1-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl]piperidine-4-carboxylate
CID 8742230

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate (CID 87012839) is methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate is COC(=O)C1CCN(CC(=O)NCCCOC(C)c2ccccc2)CC1.
What is the InChIKey of methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate?
The InChIKey is ICQGAUHICBZQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-16(17-7-4-3-5-8-17)26-14-6-11-21-19(23)15-22-12-9-18(10-13-22)20(24)25-2/h3-5,7-8,16,18H,6,9-15H2,1-2H3,(H,21,23).
What are the key properties of methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate?
methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate has a molecular weight of 362.47 g/mol, XLogP of 2.16, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-[3-(1-phenylethoxy)propylamino]ethyl]piperidine-4-carboxylate is sourced from PubChem (CID 87012839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).