1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one

C16H28N2O2 — CID 135115525

IUPAC1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(CCN1CCCC1=O)C2
InChIInChI=1S/C16H28N2O2/c1-20-14-5-2-7-16(14)8-4-9-17(13-16)11-12-18-10-3-6-15(18)19/h14H,2-13H2,1H3/t14-,16+/m1/s1
InChIKeyKUVKIDYBBDCAON-ZBFHGGJFSA-N
MW280.41 g/mol
LogP1.89
Rot. Bonds4

About 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one

1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one (PubChem CID 135115525) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one
PubChem CID135115525
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one
SMILESCO[C@@H]1CCC[C@@]12CCCN(CCN1CCCC1=O)C2
InChIInChI=1S/C16H28N2O2/c1-20-14-5-2-7-16(14)8-4-9-17(13-16)11-12-18-10-3-6-15(18)19/h14H,2-13H2,1H3/t14-,16+/m1/s1
InChIKeyKUVKIDYBBDCAON-ZBFHGGJFSA-N
XLogP1.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

4-[3-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]propoxy]benzoic acid
CID 135094667
3-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]-1-methylpyridin-2-one
CID 165421706
(4R,5R)-7-[2-(2,3-dimethylphenoxy)ethyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135109208
(4R,5R)-7-[(3,4-dimethylphenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135089438
(4R,5R)-7-[(5-ethylthiophen-2-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135105548
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 135100752
(4R,5R)-7-[(2-chloro-5-fluorophenyl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 135091609
2-[4-[[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]phenoxy]ethanol
CID 135104434
2-amino-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-methylpropan-1-one
CID 135118897
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 111114050
8-[[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methyl]quinoline
CID 165423233
(4R,5S)-7-[(2-butyl-1H-imidazol-5-yl)methyl]-4-methoxy-7-azaspiro[4.5]decane
CID 165427310

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one (CID 135115525) is 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one is CO[C@@H]1CCC[C@@]12CCCN(CCN1CCCC1=O)C2.
What is the InChIKey of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one?
The InChIKey is KUVKIDYBBDCAON-ZBFHGGJFSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-20-14-5-2-7-16(14)8-4-9-17(13-16)11-12-18-10-3-6-15(18)19/h14H,2-13H2,1H3/t14-,16+/m1/s1.
What are the key properties of 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one?
1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one has a molecular weight of 280.41 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 135115525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).