formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone

C18H32N2O4 — CID 154917887

IUPACformic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)CN1CCCCC1)C2.O=CO
InChIInChI=1S/C17H30N2O2.CH2O2/c1-21-15-7-5-8-17(15)9-6-12-19(14-17)16(20)13-18-10-3-2-4-11-18;2-1-3/h15H,2-14H2,1H3;1H,(H,2,3)/t15-,17+;/m1./s1
InChIKeyMGOYKQOCMDBEJS-KALLACGZSA-N
MW340.46 g/mol
LogP1.98
Rot. Bonds3

About formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone

formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone (PubChem CID 154917887) has the molecular formula C18H32N2O4 and a molecular weight of 340.46 g/mol. Its IUPAC name is formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone.

Molecular Properties

Compound Nameformic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
PubChem CID154917887
Molecular FormulaC18H32N2O4
Molecular Weight340.46 g/mol
Exact Mass340.24
IUPAC Nameformic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
SMILESCO[C@@H]1CCC[C@@]12CCCN(C(=O)CN1CCCCC1)C2.O=CO
InChIInChI=1S/C17H30N2O2.CH2O2/c1-21-15-7-5-8-17(15)9-6-12-19(14-17)16(20)13-18-10-3-2-4-11-18;2-1-3/h15H,2-14H2,1H3;1H,(H,2,3)/t15-,17+;/m1./s1
InChIKeyMGOYKQOCMDBEJS-KALLACGZSA-N
XLogP1.98
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 135100752
1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 135105492
cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 135106446
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 135115085
1-[2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-4,6-dimethylpyrimidin-2-one
CID 164693700
N-cyclooctyl-2-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]acetamide
CID 135104203
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164695123
2-amino-1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-methylpropan-1-one
CID 135118897
2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
CID 135108988
2-(1,3-dimethylpyrazol-4-yl)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164698084
1-[(6R,11R)-8-(5-fluoropyrimidin-2-yl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-2-yl]-2-piperidin-1-ylethanone;formic acid
CID 154922112
5-[2-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-oxoethyl]-3-methyl-1H-pyrimidine-2,4-dione
CID 164695394

Frequently Asked Questions

What is the IUPAC name of formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone?
The IUPAC name of formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone (CID 154917887) is formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone.
What is the SMILES notation for formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone?
The canonical SMILES for formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone is CO[C@@H]1CCC[C@@]12CCCN(C(=O)CN1CCCCC1)C2.O=CO.
What is the InChIKey of formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone?
The InChIKey is MGOYKQOCMDBEJS-KALLACGZSA-N. The full InChI is InChI=1S/C17H30N2O2.CH2O2/c1-21-15-7-5-8-17(15)9-6-12-19(14-17)16(20)13-18-10-3-2-4-11-18;2-1-3/h15H,2-14H2,1H3;1H,(H,2,3)/t15-,17+;/m1./s1.
What are the key properties of formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone?
formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone has a molecular weight of 340.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone is sourced from PubChem (CID 154917887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).