5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

C17H25ClN2O3 — CID 70747460

IUPAC5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOCCCC1CCCCN1C(=O)c1c(C)c(Cl)c(C)[nH]c1=O
InChIInChI=1S/C17H25ClN2O3/c1-11-14(16(21)19-12(2)15(11)18)17(22)20-9-5-4-7-13(20)8-6-10-23-3/h13H,4-10H2,1-3H3,(H,19,21)
InChIKeyDNSHEIVBDHEZLF-UHFFFAOYSA-N
MW340.85 g/mol
LogP3.07
Rot. Bonds5

About 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one

5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (PubChem CID 70747460) has the molecular formula C17H25ClN2O3 and a molecular weight of 340.85 g/mol. Its IUPAC name is 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
PubChem CID70747460
Molecular FormulaC17H25ClN2O3
Molecular Weight340.85 g/mol
Exact Mass340.16
IUPAC Name5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
SMILESCOCCCC1CCCCN1C(=O)c1c(C)c(Cl)c(C)[nH]c1=O
InChIInChI=1S/C17H25ClN2O3/c1-11-14(16(21)19-12(2)15(11)18)17(22)20-9-5-4-7-13(20)8-6-10-23-3/h13H,4-10H2,1-3H3,(H,19,21)
InChIKeyDNSHEIVBDHEZLF-UHFFFAOYSA-N
XLogP3.07
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.85
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-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 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one (CID 70747460) is 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is COCCCC1CCCCN1C(=O)c1c(C)c(Cl)c(C)[nH]c1=O.
What is the InChIKey of 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
The InChIKey is DNSHEIVBDHEZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3/c1-11-14(16(21)19-12(2)15(11)18)17(22)20-9-5-4-7-13(20)8-6-10-23-3/h13H,4-10H2,1-3H3,(H,19,21).
What are the key properties of 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one?
5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one has a molecular weight of 340.85 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(3-methoxypropyl)piperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 70747460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).