1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

C14H19N3O2 — CID 175831150

IUPAC1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESCOc1ncccc1CN1CC2(C1)CN(C(C)=O)C2
InChIInChI=1S/C14H19N3O2/c1-11(18)17-9-14(10-17)7-16(8-14)6-12-4-3-5-15-13(12)19-2/h3-5H,6-10H2,1-2H3
InChIKeyRTIFKZJMAAZZTM-UHFFFAOYSA-N
MW261.32 g/mol
LogP0.75
Rot. Bonds3

About 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone

1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (PubChem CID 175831150) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.

Molecular Properties

Compound Name1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
PubChem CID175831150
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
SMILESCOc1ncccc1CN1CC2(C1)CN(C(C)=O)C2
InChIInChI=1S/C14H19N3O2/c1-11(18)17-9-14(10-17)7-16(8-14)6-12-4-3-5-15-13(12)19-2/h3-5H,6-10H2,1-2H3
InChIKeyRTIFKZJMAAZZTM-UHFFFAOYSA-N
XLogP0.75
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[[8-[(2-methoxy-3-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155840733
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
methyl 3-[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]propanoate
CID 115537166
2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one
CID 72935022
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
8-(methoxymethyl)-2-[(2-methoxy-3-pyridinyl)methyl]-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide;bis(2,2,2-trifluoroacetic acid)
CID 155854318
9-[(2-methoxy-3-pyridinyl)methyl]-4-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane;tris(2,2,2-trifluoroacetic acid)
CID 118747101
2-(2-methoxyethyl)-10-[(2-methoxy-3-pyridinyl)methyl]-7-oxa-2,10-diazaspiro[4.6]undecane;bis(2,2,2-trifluoroacetic acid)
CID 171695201
[(3aR,6aS)-2-[(2-methoxy-3-pyridinyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-thiophen-2-ylmethanone
CID 97453141
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The IUPAC name of 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone (CID 175831150) is 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone.
What is the SMILES notation for 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The canonical SMILES for 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is COc1ncccc1CN1CC2(C1)CN(C(C)=O)C2.
What is the InChIKey of 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
The InChIKey is RTIFKZJMAAZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(18)17-9-14(10-17)7-16(8-14)6-12-4-3-5-15-13(12)19-2/h3-5H,6-10H2,1-2H3.
What are the key properties of 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone?
1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone has a molecular weight of 261.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone is sourced from PubChem (CID 175831150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).