ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate

C20H26N2O4 — CID 51162077

IUPACethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)NC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H26N2O4/c1-3-26-20(25)17-11-13-22(14-12-17)19(24)15(2)21-18(23)10-9-16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H,21,23)/b10-9+
InChIKeyYYVOACKUQFLFNM-MDZDMXLPSA-N
MW358.44 g/mol
LogP2.01
Rot. Bonds6

About ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate

ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate (PubChem CID 51162077) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate
PubChem CID51162077
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(C)NC(=O)/C=C/c2ccccc2)CC1
InChIInChI=1S/C20H26N2O4/c1-3-26-20(25)17-11-13-22(14-12-17)19(24)15(2)21-18(23)10-9-16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H,21,23)/b10-9+
InChIKeyYYVOACKUQFLFNM-MDZDMXLPSA-N
XLogP2.01
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-[(2S)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 9041528
2-methyl-N-[1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidin-4-yl]benzamide
CID 55689247
(E)-N-[1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 75478030
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]prop-2-enamide
CID 18160171
(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
CID 9269227
(E)-N-[1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51166216
(E)-N-[1-oxo-1-[4-(2-pyridin-2-ylacetyl)piperazin-1-yl]propan-2-yl]-3-phenylprop-2-enamide
CID 56521145
ethyl 1-(benzhydrylcarbamoyl)piperidine-4-carboxylate
CID 108867399
diethyl 2-(3-phenylprop-2-enoylamino)propanedioate
CID 141472099
(E)-N-[1-[4-(3-methoxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide
CID 51161508
ethyl 1-[3-[4-(trifluoromethyl)phenyl]prop-2-enoyl]piperidine-4-carboxylate
CID 102603299
ethyl 1-[[(2R)-4-phenylbutan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 27534219

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate (CID 51162077) is ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(C)NC(=O)/C=C/c2ccccc2)CC1.
What is the InChIKey of ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate?
The InChIKey is YYVOACKUQFLFNM-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-26-20(25)17-11-13-22(14-12-17)19(24)15(2)21-18(23)10-9-16-7-5-4-6-8-16/h4-10,15,17H,3,11-14H2,1-2H3,(H,21,23)/b10-9+.
What are the key properties of ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate?
ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 51162077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).