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

C15H21ClN2O3 — CID 70705145

IUPAC3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCCCC1CCCCN1C(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-8-4-6-12-5-2-3-7-18(12)15(20)11-9-13(16)14(19)17-10-11/h9-10,12H,2-8H2,1H3,(H,17,19)
InChIKeyFKCZIUKUXCXJKG-UHFFFAOYSA-N
MW312.80 g/mol
LogP2.45
Rot. Bonds5

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

3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 70705145) has the molecular formula C15H21ClN2O3 and a molecular weight of 312.80 g/mol. Its IUPAC name is 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID70705145
Molecular FormulaC15H21ClN2O3
Molecular Weight312.80 g/mol
Exact Mass312.12
IUPAC Name3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one
SMILESCOCCCC1CCCCN1C(=O)c1c[nH]c(=O)c(Cl)c1
InChIInChI=1S/C15H21ClN2O3/c1-21-8-4-6-12-5-2-3-7-18(12)15(20)11-9-13(16)14(19)17-10-11/h9-10,12H,2-8H2,1H3,(H,17,19)
InChIKeyFKCZIUKUXCXJKG-UHFFFAOYSA-N
XLogP2.45
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one (CID 70705145) is 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one is COCCCC1CCCCN1C(=O)c1c[nH]c(=O)c(Cl)c1.
What is the InChIKey of 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is FKCZIUKUXCXJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3/c1-21-8-4-6-12-5-2-3-7-18(12)15(20)11-9-13(16)14(19)17-10-11/h9-10,12H,2-8H2,1H3,(H,17,19).
What are the key properties of 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one?
3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 312.80 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-(3-methoxypropyl)piperidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 70705145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).