cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

C18H31NO2 — CID 135106446

IUPACcycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)C1CCCCCC1)C2
InChIInChI=1S/C18H31NO2/c1-21-16-10-6-11-18(16)12-7-13-19(14-18)17(20)15-8-4-2-3-5-9-15/h15-16H,2-14H2,1H3/t16-,18+/m1/s1
InChIKeyRUKBWNLLJWJLAU-AEFFLSMTSA-N
MW293.45 g/mol
LogP3.76
Rot. Bonds2

About cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone

cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone (PubChem CID 135106446) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
PubChem CID135106446
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Namecycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)C1CCCCCC1)C2
InChIInChI=1S/C18H31NO2/c1-21-16-10-6-11-18(16)12-7-13-19(14-18)17(20)15-8-4-2-3-5-9-15/h15-16H,2-14H2,1H3/t16-,18+/m1/s1
InChIKeyRUKBWNLLJWJLAU-AEFFLSMTSA-N
XLogP3.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
CID 135108988
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 135100752
2-amino-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-methylpropan-1-one
CID 135118897
cyclopentyl-(3-methoxy-7-azaspiro[3.5]nonan-7-yl)methanone
CID 110197944
formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 154917887
1H-imidazol-5-yl-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 164689152
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 135115085
(3,5-dimethyl-1,2-oxazol-4-yl)-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 163314299
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
5-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-1H-pyridin-2-one
CID 164690443
4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]-6-methyl-1H-pyridin-2-one
CID 164696636

Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone?
The IUPAC name of cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone (CID 135106446) is cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone.
What is the SMILES notation for cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone?
The canonical SMILES for cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone is CO[C@@H]1CCC[C@@]12CCCN(C(=O)C1CCCCCC1)C2.
What is the InChIKey of cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone?
The InChIKey is RUKBWNLLJWJLAU-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H31NO2/c1-21-16-10-6-11-18(16)12-7-13-19(14-18)17(20)15-8-4-2-3-5-9-15/h15-16H,2-14H2,1H3/t16-,18+/m1/s1.
What are the key properties of cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone?
cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone has a molecular weight of 293.45 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone is sourced from PubChem (CID 135106446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).