1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium

C34H58N5O9Tb- — CID 170621123

IUPAC1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium
SMILESCC(C)C1CC(C(=O)NCCOCCOCCOCCOCCOCCN[C-]=O)CN(C(=O)/C(C#N)=C/C(C)(C)CN2CCOCC2)C1.[Tb]
InChIInChI=1S/C34H58N5O9.Tb/c1-28(2)29-21-30(25-39(24-29)33(42)31(23-35)22-34(3,4)26-38-7-11-45-12-8-38)32(41)37-6-10-44-14-16-47-18-20-48-19-17-46-15-13-43-9-5-36-27-40;/h22,28-30H,5-21,24-26H2,1-4H3,(H,36,40)(H,37,41);/q-1;/b31-22+;
InChIKeyJFTUEDYYZYLGBX-OZCCWUSDSA-N
MW839.79 g/mol
LogP0.77
Rot. Bonds25

About 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium

1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium (PubChem CID 170621123) has the molecular formula C34H58N5O9Tb- and a molecular weight of 839.79 g/mol. Its IUPAC name is 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium.

Molecular Properties

Compound Name1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium
PubChem CID170621123
Molecular FormulaC34H58N5O9Tb-
Molecular Weight839.79 g/mol
Exact Mass839.35
IUPAC Name1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium
SMILESCC(C)C1CC(C(=O)NCCOCCOCCOCCOCCOCCN[C-]=O)CN(C(=O)/C(C#N)=C/C(C)(C)CN2CCOCC2)C1.[Tb]
InChIInChI=1S/C34H58N5O9.Tb/c1-28(2)29-21-30(25-39(24-29)33(42)31(23-35)22-34(3,4)26-38-7-11-45-12-8-38)32(41)37-6-10-44-14-16-47-18-20-48-19-17-46-15-13-43-9-5-36-27-40;/h22,28-30H,5-21,24-26H2,1-4H3,(H,36,40)(H,37,41);/q-1;/b31-22+;
InChIKeyJFTUEDYYZYLGBX-OZCCWUSDSA-N
XLogP0.77
TPSA160.92 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds25
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.79
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium?
The IUPAC name of 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium (CID 170621123) is 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium.
What is the SMILES notation for 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium?
The canonical SMILES for 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium is CC(C)C1CC(C(=O)NCCOCCOCCOCCOCCOCCN[C-]=O)CN(C(=O)/C(C#N)=C/C(C)(C)CN2CCOCC2)C1.[Tb].
What is the InChIKey of 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium?
The InChIKey is JFTUEDYYZYLGBX-OZCCWUSDSA-N. The full InChI is InChI=1S/C34H58N5O9.Tb/c1-28(2)29-21-30(25-39(24-29)33(42)31(23-35)22-34(3,4)26-38-7-11-45-12-8-38)32(41)37-6-10-44-14-16-47-18-20-48-19-17-46-15-13-43-9-5-36-27-40;/h22,28-30H,5-21,24-26H2,1-4H3,(H,36,40)(H,37,41);/q-1;/b31-22+;.
What are the key properties of 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium?
1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium has a molecular weight of 839.79 g/mol, XLogP of 0.77, 25 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-cyano-4,4-dimethyl-5-morpholin-4-ylpent-2-enoyl]-N-[2-[2-[2-[2-[2-[2-(oxomethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]-5-propan-2-ylpiperidine-3-carboxamide;terbium is sourced from PubChem (CID 170621123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).