(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

C20H23N3O2 — CID 123261911

IUPAC(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILES[H]/N=C(\C)c1ccc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)nc1
InChIInChI=1S/C20H23N3O2/c1-14-3-6-17(7-4-14)25-18-9-11-23(12-10-18)20(24)19-8-5-16(13-22-19)15(2)21/h3-8,13,18,21H,9-12H2,1-2H3/b21-15+
InChIKeyQEUSTFGIEMLWIZ-RCCKNPSSSA-N
MW337.42 g/mol
LogP3.46
Rot. Bonds4

About (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone

(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (PubChem CID 123261911) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
PubChem CID123261911
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
SMILES[H]/N=C(\C)c1ccc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)nc1
InChIInChI=1S/C20H23N3O2/c1-14-3-6-17(7-4-14)25-18-9-11-23(12-10-18)20(24)19-8-5-16(13-22-19)15(2)21/h3-8,13,18,21H,9-12H2,1-2H3/b21-15+
InChIKeyQEUSTFGIEMLWIZ-RCCKNPSSSA-N
XLogP3.46
TPSA66.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[6-[(4-fluorophenyl)methyl]-3-pyridinyl]-1-[6-[4-(4-methylphenoxy)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 159093164
N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676198
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-6-[4-(4-methylphenoxy)piperidine-1-carbonyl]pyridine-3-carboxamide
CID 146676197
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
CID 71514720
[4-(4-methylphenoxy)piperidin-1-yl]-(1H-pyrrolo[2,3-b]pyridin-6-yl)methanone
CID 127778121
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794
[4-(4-chlorophenoxy)piperidin-1-yl]-[5-(5-chlorothiophen-2-yl)-2-pyridinyl]methanone
CID 166338912
3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]-1,3-oxazolidin-2-one
CID 67380784
N-[4-(4-methoxyphenoxy)cyclohexyl]-5-[4-(4-methoxyphenoxy)piperidine-1-carbonyl]pyridine-2-carboxamide
CID 66710576
(3R)-4-methyl-3-[5-[4-(4-methylphenoxy)piperidine-1-carbonyl]-2-pyridinyl]pyrrolidin-2-one
CID 141370613
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821

Frequently Asked Questions

What is the IUPAC name of (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone (CID 123261911) is (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is [H]/N=C(\C)c1ccc(C(=O)N2CCC(Oc3ccc(C)cc3)CC2)nc1.
What is the InChIKey of (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
The InChIKey is QEUSTFGIEMLWIZ-RCCKNPSSSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-14-3-6-17(7-4-14)25-18-9-11-23(12-10-18)20(24)19-8-5-16(13-22-19)15(2)21/h3-8,13,18,21H,9-12H2,1-2H3/b21-15+.
What are the key properties of (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone?
(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone has a molecular weight of 337.42 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 123261911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).