ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate

C17H29N3O5 — CID 108504184

IUPACethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C17H29N3O5/c1-2-25-17(23)14-4-8-20(9-5-14)16(22)15(21)18-6-3-7-19-10-12-24-13-11-19/h14H,2-13H2,1H3,(H,18,21)
InChIKeyFCNUJVPYSOXGMM-UHFFFAOYSA-N
MW355.44 g/mol
LogP-0.37
Rot. Bonds6

About ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate

ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate (PubChem CID 108504184) has the molecular formula C17H29N3O5 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
PubChem CID108504184
Molecular FormulaC17H29N3O5
Molecular Weight355.44 g/mol
Exact Mass355.21
IUPAC Nameethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1
InChIInChI=1S/C17H29N3O5/c1-2-25-17(23)14-4-8-20(9-5-14)16(22)15(21)18-6-3-7-19-10-12-24-13-11-19/h14H,2-13H2,1H3,(H,18,21)
InChIKeyFCNUJVPYSOXGMM-UHFFFAOYSA-N
XLogP-0.37
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108504537
ethyl 1-[N'-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-N-(3-morpholin-4-ylpropyl)carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155165
ethyl 1-(2-morpholin-4-ylacetyl)piperidine-4-carboxylate
CID 54814212
methyl 1-[N'-methyl-N-(4-morpholin-4-ylbutyl)carbamimidoyl]piperidine-4-carboxylate
CID 111253935
2-(2,6-dimethylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-2-oxoacetamide
CID 108518454
1-(3-morpholin-4-ylpropylcarbamoyl)piperidine-4-carboxylic acid
CID 43348298
5-(4-ethoxycarbonylpiperidin-1-yl)pentanoic acid
CID 118951815
N'-(3-morpholin-4-ylpropyl)-N-octadecyloxamide
CID 18968645
1-[(2S)-2-methylbutanoyl]-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 95778134
ethyl 1-heptylpiperidine-4-carboxylate
CID 11777142
ethyl 1-(pentylcarbamoyl)piperidine-4-carboxylate
CID 3860423
2-(3-morpholin-4-ylpropylamino)-2-oxoacetic acid
CID 43444981

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate (CID 108504184) is ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(=O)NCCCN2CCOCC2)CC1.
What is the InChIKey of ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate?
The InChIKey is FCNUJVPYSOXGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O5/c1-2-25-17(23)14-4-8-20(9-5-14)16(22)15(21)18-6-3-7-19-10-12-24-13-11-19/h14H,2-13H2,1H3,(H,18,21).
What are the key properties of ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate?
ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate has a molecular weight of 355.44 g/mol, XLogP of -0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(3-morpholin-4-ylpropylamino)-2-oxoacetyl]piperidine-4-carboxylate is sourced from PubChem (CID 108504184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).