ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate

C22H26N2O5 — CID 78780464

IUPACethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C22H26N2O5/c1-2-28-22(27)17-10-12-24(13-11-17)21(26)18(15-16-7-4-3-5-8-16)23-20(25)19-9-6-14-29-19/h3-9,14,17-18H,2,10-13,15H2,1H3,(H,23,25)
InChIKeyFIVWNYUBKQNOEN-UHFFFAOYSA-N
MW398.46 g/mol
LogP2.42
Rot. Bonds7

About ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate

ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate (PubChem CID 78780464) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
PubChem CID78780464
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Nameethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1
InChIInChI=1S/C22H26N2O5/c1-2-28-22(27)17-10-12-24(13-11-17)21(26)18(15-16-7-4-3-5-8-16)23-20(25)19-9-6-14-29-19/h3-9,14,17-18H,2,10-13,15H2,1H3,(H,23,25)
InChIKeyFIVWNYUBKQNOEN-UHFFFAOYSA-N
XLogP2.42
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-oxo-3-phenyl-1-(4-phenylpiperidin-1-yl)propan-2-yl]furan-2-carboxamide
CID 55550533
N-[1-[4-(cyclobutylamino)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 166257021
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
ethyl 1-[(2R)-2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30142685
ethyl 1-[2-(benzenesulfonamido)-3-phenylpropanoyl]piperidine-4-carboxylate
CID 43888842
ethyl 1-[(2R)-2-[(4-bromophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 92698380
ethyl 1-[(2S)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanoyl]piperidine-4-carboxylate
CID 30143541
ethyl 1-[4-(furan-2-carbonylamino)benzoyl]piperidine-4-carboxylate
CID 27555217
N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 112836615
N-[(2R)-1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41210107
N-[1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 17433135
N-[(2S)-1-(4-benzylsulfonylpiperazin-1-yl)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 41138290

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate (CID 78780464) is ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C(Cc2ccccc2)NC(=O)c2ccco2)CC1.
What is the InChIKey of ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate?
The InChIKey is FIVWNYUBKQNOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c1-2-28-22(27)17-10-12-24(13-11-17)21(26)18(15-16-7-4-3-5-8-16)23-20(25)19-9-6-14-29-19/h3-9,14,17-18H,2,10-13,15H2,1H3,(H,23,25).
What are the key properties of ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate?
ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate has a molecular weight of 398.46 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(furan-2-carbonylamino)-3-phenylpropanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 78780464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).