[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

C21H27N3O3 — CID 109227058

IUPAC[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCCNc2cncc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-16-7-10-24(11-8-16)21(25)17-13-18(15-22-14-17)23-9-12-27-20-5-3-19(26-2)4-6-20/h3-6,13-16,23H,7-12H2,1-2H3
InChIKeyMQZSRQJEKSMUNT-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.45
Rot. Bonds7

About [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone

[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109227058) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109227058
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(OCCNc2cncc(C(=O)N3CCC(C)CC3)c2)cc1
InChIInChI=1S/C21H27N3O3/c1-16-7-10-24(11-8-16)21(25)17-13-18(15-22-14-17)23-9-12-27-20-5-3-19(26-2)4-6-20/h3-6,13-16,23H,7-12H2,1-2H3
InChIKeyMQZSRQJEKSMUNT-UHFFFAOYSA-N
XLogP3.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-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

(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
CID 109239202
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
[4-(4-methoxyphenyl)piperazin-1-yl]-[5-(3-methoxypropylamino)-3-pyridinyl]methanone
CID 109228260
N-[2-(4-methoxyphenyl)ethyl]-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103183
N-(4-ethoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103251
(4-benzylpiperidin-1-yl)-[5-(2-methoxyethylamino)-3-pyridinyl]methanone
CID 109227890
[5-[(4-methoxyphenyl)methylamino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230077
[5-(3-methoxypropylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109225504
N-(3,4-dimethylphenyl)-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239213
(4-methylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109227120
[2-(4-methoxyanilino)pyrimidin-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 109250762
N-(3-methoxyphenyl)-5-(4-methylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109103248

Frequently Asked Questions

What is the IUPAC name of [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone (CID 109227058) is [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is COc1ccc(OCCNc2cncc(C(=O)N3CCC(C)CC3)c2)cc1.
What is the InChIKey of [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MQZSRQJEKSMUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-16-7-10-24(11-8-16)21(25)17-13-18(15-22-14-17)23-9-12-27-20-5-3-19(26-2)4-6-20/h3-6,13-16,23H,7-12H2,1-2H3.
What are the key properties of [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone?
[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109227058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).