2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one

C16H22N2O2 — CID 72935022

IUPAC2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one
SMILESCOc1ncccc1CN1CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H22N2O2/c1-20-15-13(6-5-9-17-15)11-18-12-16(10-14(18)19)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12H2,1H3
InChIKeyRNUIXLBEIWKIAQ-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.77
Rot. Bonds3

About 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one

2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one (PubChem CID 72935022) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one
PubChem CID72935022
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one
SMILESCOc1ncccc1CN1CC2(CCCCC2)CC1=O
InChIInChI=1S/C16H22N2O2/c1-20-15-13(6-5-9-17-15)11-18-12-16(10-14(18)19)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12H2,1H3
InChIKeyRNUIXLBEIWKIAQ-UHFFFAOYSA-N
XLogP2.77
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-[(2-methoxy-3-pyridinyl)methyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethanone
CID 175831150
1-[(2-methoxy-3-pyridinyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336838
4-(bromomethyl)-1-[(2-methoxy-3-pyridinyl)methyl]pyrrolidin-2-one
CID 168504283
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98776992
(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
3-[(2-fluorophenyl)methyl]-8-[(2-methoxy-3-pyridinyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 22248288
1-[(2-methoxy-3-pyridinyl)methyl]-2-propylpyrrolidine-2-carboxylic acid
CID 106978885
8-[(2-amino-3-pyridinyl)methyl]-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72858062
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one (CID 72935022) is 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one is COc1ncccc1CN1CC2(CCCCC2)CC1=O.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one?
The InChIKey is RNUIXLBEIWKIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-15-13(6-5-9-17-15)11-18-12-16(10-14(18)19)7-3-2-4-8-16/h5-6,9H,2-4,7-8,10-12H2,1H3.
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one?
2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one has a molecular weight of 274.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methyl]-2-azaspiro[4.5]decan-3-one is sourced from PubChem (CID 72935022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).