1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid

C16H24N2O5 — CID 82217925

IUPAC1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
SMILESCOCCCn1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O5/c1-23-8-2-5-18-11-15(20)14(19)9-13(18)10-17-6-3-12(4-7-17)16(21)22/h9,11-12,20H,2-8,10H2,1H3,(H,21,22)
InChIKeyOXFCDNNRVIDVPU-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.89
Rot. Bonds7

About 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid

1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid (PubChem CID 82217925) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
PubChem CID82217925
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Name1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid
SMILESCOCCCn1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1
InChIInChI=1S/C16H24N2O5/c1-23-8-2-5-18-11-15(20)14(19)9-13(18)10-17-6-3-12(4-7-17)16(21)22/h9,11-12,20H,2-8,10H2,1H3,(H,21,22)
InChIKeyOXFCDNNRVIDVPU-UHFFFAOYSA-N
XLogP0.89
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid (CID 82217925) is 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid is COCCCn1cc(O)c(=O)cc1CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
The InChIKey is OXFCDNNRVIDVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-23-8-2-5-18-11-15(20)14(19)9-13(18)10-17-6-3-12(4-7-17)16(21)22/h9,11-12,20H,2-8,10H2,1H3,(H,21,22).
What are the key properties of 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid?
1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 0.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-hydroxy-1-(3-methoxypropyl)-4-oxo-2-pyridinyl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 82217925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).