3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

C19H28N2O5 — CID 70714642

IUPAC3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C19H28N2O5/c1-13(2)15-7-6-14(16(22)20-15)17(23)21-10-4-8-19(12-21,18(24)25)9-5-11-26-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyASYNLXZOMFGQJG-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.23
Rot. Bonds7

About 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid

3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (PubChem CID 70714642) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
PubChem CID70714642
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Name3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
SMILESCOCCCC1(C(=O)O)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C19H28N2O5/c1-13(2)15-7-6-14(16(22)20-15)17(23)21-10-4-8-19(12-21,18(24)25)9-5-11-26-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,20,22)(H,24,25)
InChIKeyASYNLXZOMFGQJG-UHFFFAOYSA-N
XLogP2.23
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-{[3-(Hydroxymethyl)-3-(2-methoxyethyl)-1-piperidinyl]carbonyl}-6-isopropyl-2-pyridinol
CID 72837392
3-{rel-(3R,4S)-4-(dimethylamino)-1-[(2-hydroxy-6-isopropyl-3-pyridinyl)carbonyl]-3-piperidinyl}propanoic acid
CID 72903791
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 43355836
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 63133683
1-[(2-Hydroxypyridin-3-yl)carbonyl]-3-(3-methoxypropyl)piperidine-3-carboxylic acid
CID 70738022
1-[(2-Hydroxy-5,6-dimethyl-3-pyridinyl)carbonyl]-3-propyl-3-piperidinecarboxylic acid
CID 70752926
1-[(2-Hydroxy-5,6,7,8-tetrahydro-3-quinolinyl)carbonyl]-3-(3-methyl-2-buten-1-yl)-3-piperidinecarboxylic acid
CID 70784930
3-Ethyl-1-[(1-ethyl-4,6-dimethyl-2-oxo-1,2-dihydro-3-pyridinyl)carbonyl]-3-piperidinecarboxylic acid
CID 72894986
(3R)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 81118794
(3S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid
CID 81126270
3-[(3S)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 97109718
3-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 97109719

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid (CID 70714642) is 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is COCCCC1(C(=O)O)CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1.
What is the InChIKey of 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is ASYNLXZOMFGQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-13(2)15-7-6-14(16(22)20-15)17(23)21-10-4-8-19(12-21,18(24)25)9-5-11-26-3/h6-7,13H,4-5,8-12H2,1-3H3,(H,20,22)(H,24,25).
What are the key properties of 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid?
3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 364.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 70714642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).