[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

C15H22ClN3O2 — CID 133271024

IUPAC[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOCCNc1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-2-21-9-6-17-14-13(16)10-12(11-18-14)15(20)19-7-4-3-5-8-19/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyBRYBJVUMCHGZOK-UHFFFAOYSA-N
MW311.81 g/mol
LogP2.81
Rot. Bonds6

About [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone

[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133271024) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133271024
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
SMILESCCOCCNc1ncc(C(=O)N2CCCCC2)cc1Cl
InChIInChI=1S/C15H22ClN3O2/c1-2-21-9-6-17-14-13(16)10-12(11-18-14)15(20)19-7-4-3-5-8-19/h10-11H,2-9H2,1H3,(H,17,18)
InChIKeyBRYBJVUMCHGZOK-UHFFFAOYSA-N
XLogP2.81
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone 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

azocan-1-yl-[5-chloro-6-(ethylamino)-3-pyridinyl]methanone
CID 62173335
[5-chloro-6-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 60561390
[5-chloro-6-(2-phenoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270733
[5-chloro-6-[2-(furan-2-yl)ethylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270752
[5-chloro-6-[(4-propan-2-yloxyphenyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270903
N-benzyl-3-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]-N-methylpropanamide
CID 56555861
[5-chloro-6-[(2-methyl-3-piperidin-1-ylpropyl)amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 56587654
[5-chloro-6-[(1-ethylpyrazol-4-yl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999240
[5-chloro-6-(ethylamino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 62170776
[5-chloro-6-(2,3-dihydro-1H-inden-5-ylmethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270998
5-chloro-N-piperidin-1-yl-6-(propylamino)pyridine-3-carboxamide
CID 83023979
[5-chloro-6-[(6-methyl-2-pyridinyl)methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271116

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone (CID 133271024) is [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is CCOCCNc1ncc(C(=O)N2CCCCC2)cc1Cl.
What is the InChIKey of [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is BRYBJVUMCHGZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-2-21-9-6-17-14-13(16)10-12(11-18-14)15(20)19-7-4-3-5-8-19/h10-11H,2-9H2,1H3,(H,17,18).
What are the key properties of [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone?
[5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 311.81 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(2-ethoxyethylamino)-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133271024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).