3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide

C16H25N3O2 — CID 63131125

IUPAC3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide
SMILESCCCn1cc(NC(=O)C2(CC)CCCNC2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-3-10-19-11-13(6-7-14(19)20)18-15(21)16(4-2)8-5-9-17-12-16/h6-7,11,17H,3-5,8-10,12H2,1-2H3,(H,18,21)
InChIKeyOAPUTFIHERBELK-UHFFFAOYSA-N
MW291.40 g/mol
LogP1.98
Rot. Bonds5

About 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide

3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 63131125) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide
PubChem CID63131125
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC Name3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide
SMILESCCCn1cc(NC(=O)C2(CC)CCCNC2)ccc1=O
InChIInChI=1S/C16H25N3O2/c1-3-10-19-11-13(6-7-14(19)20)18-15(21)16(4-2)8-5-9-17-12-16/h6-7,11,17H,3-5,8-10,12H2,1-2H3,(H,18,21)
InChIKeyOAPUTFIHERBELK-UHFFFAOYSA-N
XLogP1.98
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide (CID 63131125) is 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide is CCCn1cc(NC(=O)C2(CC)CCCNC2)ccc1=O.
What is the InChIKey of 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is OAPUTFIHERBELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-3-10-19-11-13(6-7-14(19)20)18-15(21)16(4-2)8-5-9-17-12-16/h6-7,11,17H,3-5,8-10,12H2,1-2H3,(H,18,21).
What are the key properties of 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide?
3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 291.40 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(6-oxo-1-propyl-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 63131125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).