1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium

C35H44FN4O8Tb- — CID 170620920

IUPAC1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium
SMILESN#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(C(=O)NCCOCCOCCOCCOCCOCCN[C-]=O)CC(c2ccccc2)C1.[Tb]
InChIInChI=1S/C35H44FN4O8.Tb/c36-33-8-6-28(7-9-33)22-30(24-37)35(43)40-25-31(29-4-2-1-3-5-29)23-32(26-40)34(42)39-11-13-45-15-17-47-19-21-48-20-18-46-16-14-44-12-10-38-27-41;/h1-9,22,31-32H,10-21,23,25-26H2,(H,38,41)(H,39,42);/q-1;/b30-22+;
InChIKeyXQCCAAVRSGVLJP-FXYXWFQZSA-N
MW826.68 g/mol
LogP2.22
Rot. Bonds23

About 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium

1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium (PubChem CID 170620920) has the molecular formula C35H44FN4O8Tb- and a molecular weight of 826.68 g/mol. Its IUPAC name is 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium.

Molecular Properties

Compound Name1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium
PubChem CID170620920
Molecular FormulaC35H44FN4O8Tb-
Molecular Weight826.68 g/mol
Exact Mass826.24
IUPAC Name1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium
SMILESN#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(C(=O)NCCOCCOCCOCCOCCOCCN[C-]=O)CC(c2ccccc2)C1.[Tb]
InChIInChI=1S/C35H44FN4O8.Tb/c36-33-8-6-28(7-9-33)22-30(24-37)35(43)40-25-31(29-4-2-1-3-5-29)23-32(26-40)34(42)39-11-13-45-15-17-47-19-21-48-20-18-46-16-14-44-12-10-38-27-41;/h1-9,22,31-32H,10-21,23,25-26H2,(H,38,41)(H,39,42);/q-1;/b30-22+;
InChIKeyXQCCAAVRSGVLJP-FXYXWFQZSA-N
XLogP2.22
TPSA148.45 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds23
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500826.68
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium?
The IUPAC name of 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium (CID 170620920) is 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium.
What is the SMILES notation for 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium?
The canonical SMILES for 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium is N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(C(=O)NCCOCCOCCOCCOCCOCCN[C-]=O)CC(c2ccccc2)C1.[Tb].
What is the InChIKey of 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium?
The InChIKey is XQCCAAVRSGVLJP-FXYXWFQZSA-N. The full InChI is InChI=1S/C35H44FN4O8.Tb/c36-33-8-6-28(7-9-33)22-30(24-37)35(43)40-25-31(29-4-2-1-3-5-29)23-32(26-40)34(42)39-11-13-45-15-17-47-19-21-48-20-18-46-16-14-44-12-10-38-27-41;/h1-9,22,31-32H,10-21,23,25-26H2,(H,38,41)(H,39,42);/q-1;/b30-22+;.
What are the key properties of 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium?
1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium has a molecular weight of 826.68 g/mol, XLogP of 2.22, 23 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyano-3-(4-fluorophenyl)prop-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-phenylpiperidine-3-carboxamide;terbium is sourced from PubChem (CID 170620920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).