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

C22H29N3O3 — CID 109239202

IUPAC(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cncc(NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-3-19-6-4-5-12-25(19)22(26)17-14-18(16-23-15-17)24-11-13-28-21-9-7-20(27-2)8-10-21/h7-10,14-16,19,24H,3-6,11-13H2,1-2H3
InChIKeyFGNBOCHKYZXDDS-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.99
Rot. Bonds8

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

(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone (PubChem CID 109239202) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
PubChem CID109239202
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cncc(NCCOc2ccc(OC)cc2)c1
InChIInChI=1S/C22H29N3O3/c1-3-19-6-4-5-12-25(19)22(26)17-14-18(16-23-15-17)24-11-13-28-21-9-7-20(27-2)8-10-21/h7-10,14-16,19,24H,3-6,11-13H2,1-2H3
InChIKeyFGNBOCHKYZXDDS-UHFFFAOYSA-N
XLogP3.99
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone with MolForge

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Related Compounds

[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109227058
N-cycloheptyl-5-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109239199
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
(2-ethylpiperidin-1-yl)-[5-(4-propan-2-yloxyanilino)-3-pyridinyl]methanone
CID 109240554
N-(2,4-dimethoxyphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107460
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
[5-(2-ethoxyanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240550
1-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]ethanone
CID 109240561
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
CID 109107415
N-[3-[[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]amino]phenyl]acetamide
CID 109240563
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979259
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone (CID 109239202) is (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone is CCC1CCCCN1C(=O)c1cncc(NCCOc2ccc(OC)cc2)c1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone?
The InChIKey is FGNBOCHKYZXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-3-19-6-4-5-12-25(19)22(26)17-14-18(16-23-15-17)24-11-13-28-21-9-7-20(27-2)8-10-21/h7-10,14-16,19,24H,3-6,11-13H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone?
(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone has a molecular weight of 383.49 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone is sourced from PubChem (CID 109239202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).