[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C15H23N3O2 — CID 109183238

IUPAC[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOCCNc1ccc(C(=O)N2CCC(C)CC2)nc1
InChIInChI=1S/C15H23N3O2/c1-12-5-8-18(9-6-12)15(19)14-4-3-13(11-17-14)16-7-10-20-2/h3-4,11-12,16H,5-10H2,1-2H3
InChIKeyCXRGGLWKTYGRQJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.01
Rot. Bonds5

About [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109183238) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109183238
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOCCNc1ccc(C(=O)N2CCC(C)CC2)nc1
InChIInChI=1S/C15H23N3O2/c1-12-5-8-18(9-6-12)15(19)14-4-3-13(11-17-14)16-7-10-20-2/h3-4,11-12,16H,5-10H2,1-2H3
InChIKeyCXRGGLWKTYGRQJ-UHFFFAOYSA-N
XLogP2.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[5-(3-methoxypropylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182537
(4-methylpiperidin-1-yl)-[5-(pyridin-4-ylmethylamino)-2-pyridinyl]methanone
CID 109183266
(4-ethylpiperazin-1-yl)-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184383
[5-(methylamino)-2-pyridinyl]-(4-methylazepan-1-yl)methanone
CID 113436179
ethyl 4-[[5-(2-methoxyethylamino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109184058
[6-(2-methoxyethylamino)-2-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109364250
N-(2-methoxyethyl)-6-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095409
[5-(2-ethylanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183327
[5-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109183348
(4-hydroxy-3-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 114681667
(3-hydroxy-4-methylpiperidin-1-yl)-[5-(propylamino)-2-pyridinyl]methanone
CID 102964768
[4-(furan-2-carbonyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-2-pyridinyl]methanone
CID 109184431

Frequently Asked Questions

What is the IUPAC name of [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109183238) is [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is COCCNc1ccc(C(=O)N2CCC(C)CC2)nc1.
What is the InChIKey of [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is CXRGGLWKTYGRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-12-5-8-18(9-6-12)15(19)14-4-3-13(11-17-14)16-7-10-20-2/h3-4,11-12,16H,5-10H2,1-2H3.
What are the key properties of [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methoxyethylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109183238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).