3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide

C28H28N4O3 — CID 68726703

IUPAC3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide
SMILESO=C1C(=Cc2cccc(N3CCOCC3)n2)CN(C(=O)Nc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C28H28N4O3/c33-27-22(18-24-12-7-13-26(29-24)31-14-16-35-17-15-31)19-32(20-25(27)21-8-3-1-4-9-21)28(34)30-23-10-5-2-6-11-23/h1-13,18,25H,14-17,19-20H2,(H,30,34)
InChIKeyKQALKFXZDUHTIC-UHFFFAOYSA-N
MW468.56 g/mol
LogP4.20
Rot. Bonds4

About 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide

3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide (PubChem CID 68726703) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide
PubChem CID68726703
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC Name3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide
SMILESO=C1C(=Cc2cccc(N3CCOCC3)n2)CN(C(=O)Nc2ccccc2)CC1c1ccccc1
InChIInChI=1S/C28H28N4O3/c33-27-22(18-24-12-7-13-26(29-24)31-14-16-35-17-15-31)19-32(20-25(27)21-8-3-1-4-9-21)28(34)30-23-10-5-2-6-11-23/h1-13,18,25H,14-17,19-20H2,(H,30,34)
InChIKeyKQALKFXZDUHTIC-UHFFFAOYSA-N
XLogP4.20
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide?
The IUPAC name of 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide (CID 68726703) is 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide.
What is the SMILES notation for 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide?
The canonical SMILES for 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide is O=C1C(=Cc2cccc(N3CCOCC3)n2)CN(C(=O)Nc2ccccc2)CC1c1ccccc1.
What is the InChIKey of 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide?
The InChIKey is KQALKFXZDUHTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c33-27-22(18-24-12-7-13-26(29-24)31-14-16-35-17-15-31)19-32(20-25(27)21-8-3-1-4-9-21)28(34)30-23-10-5-2-6-11-23/h1-13,18,25H,14-17,19-20H2,(H,30,34).
What are the key properties of 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide?
3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-morpholin-4-yl-2-pyridinyl)methylidene]-4-oxo-N,5-diphenylpiperidine-1-carboxamide is sourced from PubChem (CID 68726703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).