3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

C18H28N2O3 — CID 70755815

IUPAC3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCCC1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C18H28N2O3/c1-13(2)16-9-8-15(17(21)19-16)18(22)20-10-4-6-14(12-20)7-5-11-23-3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,21)
InChIKeyXKKOLJLZVHKOEA-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.78
Rot. Bonds6

About 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one

3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (PubChem CID 70755815) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
PubChem CID70755815
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
SMILESCOCCCC1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1
InChIInChI=1S/C18H28N2O3/c1-13(2)16-9-8-15(17(21)19-16)18(22)20-10-4-6-14(12-20)7-5-11-23-3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,21)
InChIKeyXKKOLJLZVHKOEA-UHFFFAOYSA-N
XLogP2.78
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one (CID 70755815) is 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is COCCCC1CCCN(C(=O)c2ccc(C(C)C)[nH]c2=O)C1.
What is the InChIKey of 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
The InChIKey is XKKOLJLZVHKOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(2)16-9-8-15(17(21)19-16)18(22)20-10-4-6-14(12-20)7-5-11-23-3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H,19,21).
What are the key properties of 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one?
3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one has a molecular weight of 320.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methoxypropyl)piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 70755815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).