(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone

C13H17ClN2O — CID 43430237

IUPAC(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c1-2-10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyVFCWHCJCSKJAGS-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.00
Rot. Bonds2

About (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone

(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (PubChem CID 43430237) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
PubChem CID43430237
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCN(C(=O)c2cccnc2Cl)C1
InChIInChI=1S/C13H17ClN2O/c1-2-10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyVFCWHCJCSKJAGS-UHFFFAOYSA-N
XLogP3.00
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644537
(1-chloroisoquinolin-4-yl)-(3-ethylpiperidin-1-yl)methanone
CID 106765973
(2-chloro-3-pyridinyl)-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 97169687
2-(3-ethylpiperidine-1-carbonyl)benzoic acid
CID 43584267
(2-chloro-5-fluoro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 113347117
[(3S)-3-aminopyrrolidin-1-yl]-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71643927
(3-aminopyrrolidin-1-yl)-(2-chloro-3-pyridinyl)methanone;hydrochloride
CID 71644269
(3-bromo-2-pyridinyl)-(3-ethylpiperidin-1-yl)methanone
CID 107517939
(2-chloro-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226414
(3-ethylpiperidin-1-yl)-[2-(methylamino)phenyl]methanone
CID 61377467
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2-chloro-3-pyridinyl)methanone
CID 61051246
(3-ethylpiperidin-1-yl)-(2-hydroxy-3-methylphenyl)methanone
CID 43430135

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The IUPAC name of (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone (CID 43430237) is (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is CCC1CCCN(C(=O)c2cccnc2Cl)C1.
What is the InChIKey of (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
The InChIKey is VFCWHCJCSKJAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-2-10-5-4-8-16(9-10)13(17)11-6-3-7-15-12(11)14/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone?
(2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone has a molecular weight of 252.74 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-pyridinyl)-(3-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 43430237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).