4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde

C18H19N3O3 — CID 71514720

IUPAC4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
SMILESCc1cnc(C(=O)N2CCC(Oc3ccc(C=O)cc3)CC2)cn1
InChIInChI=1S/C18H19N3O3/c1-13-10-20-17(11-19-13)18(23)21-8-6-16(7-9-21)24-15-4-2-14(12-22)3-5-15/h2-5,10-12,16H,6-9H2,1H3
InChIKeyQNCJVRMEQOWTQO-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.28
Rot. Bonds4

About 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde

4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde (PubChem CID 71514720) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde.

Molecular Properties

Compound Name4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
PubChem CID71514720
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde
SMILESCc1cnc(C(=O)N2CCC(Oc3ccc(C=O)cc3)CC2)cn1
InChIInChI=1S/C18H19N3O3/c1-13-10-20-17(11-19-13)18(23)21-8-6-16(7-9-21)24-15-4-2-14(12-22)3-5-15/h2-5,10-12,16H,6-9H2,1H3
InChIKeyQNCJVRMEQOWTQO-UHFFFAOYSA-N
XLogP2.28
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1-acetylpiperidin-4-yl)oxybenzaldehyde
CID 23087524
(5-methylpyrazin-2-yl)-(4-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 121162110
ethyl 4-(4-formylphenoxy)piperidine-1-carboxylate
CID 18980164
tert-butyl (3S)-3-(4-formylphenoxy)pyrrolidine-1-carboxylate
CID 11779039
[(3S)-3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 100633213
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-quinolin-2-ylmethanone
CID 90566268
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]methanone
CID 90566485
5-[4-(4-chlorophenoxy)piperidine-1-carbonyl]-1H-pyrazin-2-one
CID 166281480
(5-methylpyrazin-2-yl)-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]methanone
CID 90617840
(5-ethanimidoyl-2-pyridinyl)-[4-(4-methylphenoxy)piperidin-1-yl]methanone
CID 123261911
[4-(4-chlorophenoxy)piperidin-1-yl]-(5-propan-2-yl-2-pyridinyl)methanone
CID 166338794

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde?
The IUPAC name of 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde (CID 71514720) is 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde.
What is the SMILES notation for 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde?
The canonical SMILES for 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde is Cc1cnc(C(=O)N2CCC(Oc3ccc(C=O)cc3)CC2)cn1.
What is the InChIKey of 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde?
The InChIKey is QNCJVRMEQOWTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-10-20-17(11-19-13)18(23)21-8-6-16(7-9-21)24-15-4-2-14(12-22)3-5-15/h2-5,10-12,16H,6-9H2,1H3.
What are the key properties of 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde?
4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde has a molecular weight of 325.37 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]oxybenzaldehyde is sourced from PubChem (CID 71514720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).