1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one

C12H17ClN2O — CID 82907199

IUPAC1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCC(Cl)CC1
InChIInChI=1S/C12H17ClN2O/c13-11-4-7-14(8-5-11)9-10-15-6-2-1-3-12(15)16/h1-3,6,11H,4-5,7-10H2
InChIKeyXVGNJOUHWYAOJU-UHFFFAOYSA-N
MW240.73 g/mol
LogP1.55
Rot. Bonds3

About 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one

1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one (PubChem CID 82907199) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
PubChem CID82907199
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1CCC(Cl)CC1
InChIInChI=1S/C12H17ClN2O/c13-11-4-7-14(8-5-11)9-10-15-6-2-1-3-12(15)16/h1-3,6,11H,4-5,7-10H2
InChIKeyXVGNJOUHWYAOJU-UHFFFAOYSA-N
XLogP1.55
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[4-[1-(ethylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82897001
1-[2-[4-(3-aminopropyl)piperazin-1-yl]ethyl]pyridin-2-one
CID 82897279
1-[2-[4-[1-(propylamino)ethyl]piperidin-1-yl]ethyl]pyridin-2-one
CID 82898404
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]pyridin-2-one
CID 82906952
3-[1-[2-(2-oxo-1-pyridinyl)ethyl]pyrrolidin-3-yl]propanoic acid
CID 82907483
1-[2-[4-(2-bromoethyl)-1,4-diazepan-1-yl]ethyl]pyridin-2-one
CID 82907733
1-[2-(4-amino-3-ethylpiperidin-1-yl)ethyl]pyridin-2-one
CID 82907183
1-[2-[3-(aminomethyl)piperidin-1-yl]ethyl]pyridin-2-one
CID 82897538
1-[2-[3-ethyl-4-(ethylamino)piperidin-1-yl]ethyl]pyridin-2-one
CID 114507542
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 47036197
3,5-dimethyl-N-[1-[2-(2-oxo-1-pyridinyl)ethyl]piperidin-4-yl]furan-2-carboxamide
CID 146136526
1-(2-chloroethyl)pyridin-2-one;hydrochloride
CID 12704874

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one (CID 82907199) is 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one is O=c1ccccn1CCN1CCC(Cl)CC1.
What is the InChIKey of 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one?
The InChIKey is XVGNJOUHWYAOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c13-11-4-7-14(8-5-11)9-10-15-6-2-1-3-12(15)16/h1-3,6,11H,4-5,7-10H2.
What are the key properties of 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one?
1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one has a molecular weight of 240.73 g/mol, XLogP of 1.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloropiperidin-1-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 82907199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).