4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde

C19H24N4O5 — CID 109084662

IUPAC4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)CC1
InChIInChI=1S/C19H24N4O5/c24-14-21-7-9-23(10-8-21)17(25)15-1-4-20-16(13-15)18(26)22-5-2-19(3-6-22)27-11-12-28-19/h1,4,13-14H,2-3,5-12H2
InChIKeyCUYSAQDMUBFDGK-UHFFFAOYSA-N
MW388.42 g/mol
LogP-0.03
Rot. Bonds3

About 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde

4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde (PubChem CID 109084662) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
PubChem CID109084662
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde
SMILESO=CN1CCN(C(=O)c2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)CC1
InChIInChI=1S/C19H24N4O5/c24-14-21-7-9-23(10-8-21)17(25)15-1-4-20-16(13-15)18(26)22-5-2-19(3-6-22)27-11-12-28-19/h1,4,13-14H,2-3,5-12H2
InChIKeyCUYSAQDMUBFDGK-UHFFFAOYSA-N
XLogP-0.03
TPSA92.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 5-0.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 109302711
2,3-dihydroindol-1-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-4-pyridinyl]methanone
CID 109088614
N-tert-butyl-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088600
4-[6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carbonyl]piperazine-1-carbaldehyde
CID 109155001
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methylphenyl)pyridine-2-carboxamide
CID 109088575
N-[2-(dimethylamino)ethyl]-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109083433
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109088588
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
N-cyclopropyl-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109078421
N-(2,5-dimethylphenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carboxamide
CID 109088616

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde (CID 109084662) is 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde is O=CN1CCN(C(=O)c2ccnc(C(=O)N3CCC4(CC3)OCCO4)c2)CC1.
What is the InChIKey of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
The InChIKey is CUYSAQDMUBFDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c24-14-21-7-9-23(10-8-21)17(25)15-1-4-20-16(13-15)18(26)22-5-2-19(3-6-22)27-11-12-28-19/h1,4,13-14H,2-3,5-12H2.
What are the key properties of 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde?
4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde has a molecular weight of 388.42 g/mol, XLogP of -0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyridine-4-carbonyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 109084662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).