ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate

C20H28N2O5 — CID 47078434

IUPACethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C20H28N2O5/c1-3-26-20(25)15(2)21-19(24)16-8-7-12-22(14-16)18(23)11-13-27-17-9-5-4-6-10-17/h4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,21,24)
InChIKeyAJHMRQRGPPFRTK-UHFFFAOYSA-N
MW376.45 g/mol
LogP1.76
Rot. Bonds8

About ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate

ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate (PubChem CID 47078434) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
PubChem CID47078434
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nameethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1
InChIInChI=1S/C20H28N2O5/c1-3-26-20(25)15(2)21-19(24)16-8-7-12-22(14-16)18(23)11-13-27-17-9-5-4-6-10-17/h4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,21,24)
InChIKeyAJHMRQRGPPFRTK-UHFFFAOYSA-N
XLogP1.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methoxy-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60562165
N-(2-amino-2-methylpropyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 119629786
N-[(2R)-2-(ethylamino)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 120651023
ethyl 2-[(1-carbamoylpiperidine-3-carbonyl)amino]propanoate
CID 61344950
1-(3-phenoxypropanoyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-3-carboxamide
CID 60562229
(3S)-N-[2-(2,2-diethoxyethoxy)ethyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 99797772
N-(2-ethylcyclohexyl)-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553205
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55982395
N-(1-aminohexan-2-yl)-1-(2-phenoxyacetyl)piperidine-3-carboxamide;hydrochloride
CID 119665267
N-[4-(diethylamino)phenyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553985
2-[4-[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 55967026
cis-(1S,3R)-3-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120674902

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate?
The IUPAC name of ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate (CID 47078434) is ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate is CCOC(=O)C(C)NC(=O)C1CCCN(C(=O)CCOc2ccccc2)C1.
What is the InChIKey of ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate?
The InChIKey is AJHMRQRGPPFRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-3-26-20(25)15(2)21-19(24)16-8-7-12-22(14-16)18(23)11-13-27-17-9-5-4-6-10-17/h4-6,9-10,15-16H,3,7-8,11-14H2,1-2H3,(H,21,24).
What are the key properties of ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate?
ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate has a molecular weight of 376.45 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[1-(3-phenoxypropanoyl)piperidine-3-carbonyl]amino]propanoate is sourced from PubChem (CID 47078434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).