(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone

C21H29N3O3 — CID 126806798

IUPAC(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
SMILESCCOC1CC2(CCN(C(=O)C3CCCCN3C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-2-27-17-12-21(13-17)8-11-23(15-21)20(26)18-7-3-4-10-24(18)19(25)16-6-5-9-22-14-16/h5-6,9,14,17-18H,2-4,7-8,10-13,15H2,1H3
InChIKeyPQDLENAJAWICDE-UHFFFAOYSA-N
MW371.48 g/mol
LogP2.49
Rot. Bonds4

About (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone

(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone (PubChem CID 126806798) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
PubChem CID126806798
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
SMILESCCOC1CC2(CCN(C(=O)C3CCCCN3C(=O)c3cccnc3)C2)C1
InChIInChI=1S/C21H29N3O3/c1-2-27-17-12-21(13-17)8-11-23(15-21)20(26)18-7-3-4-10-24(18)19(25)16-6-5-9-22-14-16/h5-6,9,14,17-18H,2-4,7-8,10-13,15H2,1H3
InChIKeyPQDLENAJAWICDE-UHFFFAOYSA-N
XLogP2.49
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-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

(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-(1-phenylpyrrolidin-2-yl)methanone
CID 126812869
[(3aS,6aR)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[(2R)-1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 97078426
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282
(2-cyclohexyloxy-4-pyridinyl)-(2-ethoxy-6-azaspiro[3.4]octan-6-yl)methanone
CID 126799880
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084
1-[1-(pyridine-3-carbonyl)piperidin-2-yl]propan-2-one
CID 79548958
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
1-[(4aR,9aR)-1-(pyridine-3-carbonyl)-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-5-yl]ethanone
CID 110145133
N-[6-(pyridine-3-carbonyl)-6-azaspiro[3.4]octan-2-yl]methanesulfonamide
CID 98897052
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-pyridin-3-ylmethanone
CID 97100846

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The IUPAC name of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone (CID 126806798) is (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone.
What is the SMILES notation for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The canonical SMILES for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone is CCOC1CC2(CCN(C(=O)C3CCCCN3C(=O)c3cccnc3)C2)C1.
What is the InChIKey of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
The InChIKey is PQDLENAJAWICDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O3/c1-2-27-17-12-21(13-17)8-11-23(15-21)20(26)18-7-3-4-10-24(18)19(25)16-6-5-9-22-14-16/h5-6,9,14,17-18H,2-4,7-8,10-13,15H2,1H3.
What are the key properties of (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone?
(2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone has a molecular weight of 371.48 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-6-azaspiro[3.4]octan-6-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone is sourced from PubChem (CID 126806798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).