2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen

C23H30N4O3 — CID 176581188

IUPAC2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen
SMILESCCC(=O)c1ncc(-c2ccccc2)cc1NC(=O)CNCC1CCN(C)C(=O)C1.[H][H]
InChIInChI=1S/C23H28N4O3.H2/c1-3-20(28)23-19(12-18(14-25-23)17-7-5-4-6-8-17)26-21(29)15-24-13-16-9-10-27(2)22(30)11-16;/h4-8,12,14,16,24H,3,9-11,13,15H2,1-2H3,(H,26,29);1H
InChIKeyYDECZBUJZZZGIH-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.98
Rot. Bonds8

About 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen

2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen (PubChem CID 176581188) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen
PubChem CID176581188
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen
SMILESCCC(=O)c1ncc(-c2ccccc2)cc1NC(=O)CNCC1CCN(C)C(=O)C1.[H][H]
InChIInChI=1S/C23H28N4O3.H2/c1-3-20(28)23-19(12-18(14-25-23)17-7-5-4-6-8-17)26-21(29)15-24-13-16-9-10-27(2)22(30)11-16;/h4-8,12,14,16,24H,3,9-11,13,15H2,1-2H3,(H,26,29);1H
InChIKeyYDECZBUJZZZGIH-UHFFFAOYSA-N
XLogP2.98
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen?
The IUPAC name of 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen (CID 176581188) is 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen.
What is the SMILES notation for 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen?
The canonical SMILES for 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen is CCC(=O)c1ncc(-c2ccccc2)cc1NC(=O)CNCC1CCN(C)C(=O)C1.[H][H].
What is the InChIKey of 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen?
The InChIKey is YDECZBUJZZZGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3.H2/c1-3-20(28)23-19(12-18(14-25-23)17-7-5-4-6-8-17)26-21(29)15-24-13-16-9-10-27(2)22(30)11-16;/h4-8,12,14,16,24H,3,9-11,13,15H2,1-2H3,(H,26,29);1H.
What are the key properties of 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen?
2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen has a molecular weight of 410.52 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopiperidin-4-yl)methylamino]-N-(5-phenyl-2-propanoyl-3-pyridinyl)acetamide;molecular hydrogen is sourced from PubChem (CID 176581188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).