1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide

C16H24N4O3 — CID 46428887

IUPAC1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2ncccc2O)CC1
InChIInChI=1S/C16H24N4O3/c1-3-19(4-2)16(23)20-10-7-12(8-11-20)15(22)18-14-13(21)6-5-9-17-14/h5-6,9,12,21H,3-4,7-8,10-11H2,1-2H3,(H,17,18,22)
InChIKeyHCXDQECKYSBHPR-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.90
Rot. Bonds4

About 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide

1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide (PubChem CID 46428887) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
PubChem CID46428887
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2ncccc2O)CC1
InChIInChI=1S/C16H24N4O3/c1-3-19(4-2)16(23)20-10-7-12(8-11-20)15(22)18-14-13(21)6-5-9-17-14/h5-6,9,12,21H,3-4,7-8,10-11H2,1-2H3,(H,17,18,22)
InChIKeyHCXDQECKYSBHPR-UHFFFAOYSA-N
XLogP1.90
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide (CID 46428887) is 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)Nc2ncccc2O)CC1.
What is the InChIKey of 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide?
The InChIKey is HCXDQECKYSBHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-3-19(4-2)16(23)20-10-7-12(8-11-20)15(22)18-14-13(21)6-5-9-17-14/h5-6,9,12,21H,3-4,7-8,10-11H2,1-2H3,(H,17,18,22).
What are the key properties of 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide?
1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide has a molecular weight of 320.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N-diethyl-4-N-(3-hydroxy-2-pyridinyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 46428887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).