1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid

C15H22N2O4 — CID 82217475

IUPAC1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCCn1c(C)cc(=O)c(O)c1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-3-17-10(2)8-13(18)14(19)12(17)9-16-6-4-11(5-7-16)15(20)21/h8,11,19H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyMPIWNMDCXVDPDX-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.18
Rot. Bonds4

About 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid

1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid (PubChem CID 82217475) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid
PubChem CID82217475
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid
SMILESCCn1c(C)cc(=O)c(O)c1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C15H22N2O4/c1-3-17-10(2)8-13(18)14(19)12(17)9-16-6-4-11(5-7-16)15(20)21/h8,11,19H,3-7,9H2,1-2H3,(H,20,21)
InChIKeyMPIWNMDCXVDPDX-UHFFFAOYSA-N
XLogP1.18
TPSA82.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid (CID 82217475) is 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid is CCn1c(C)cc(=O)c(O)c1CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
The InChIKey is MPIWNMDCXVDPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-17-10(2)8-13(18)14(19)12(17)9-16-6-4-11(5-7-16)15(20)21/h8,11,19H,3-7,9H2,1-2H3,(H,20,21).
What are the key properties of 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid?
1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-hydroxy-6-methyl-4-oxo-2-pyridinyl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82217475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).