2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone

C20H34N2O4 — CID 135108988

IUPAC2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)CC1
InChIInChI=1S/C20H34N2O4/c1-3-26-14-18(23)21-12-7-16(8-13-21)19(24)22-11-5-10-20(15-22)9-4-6-17(20)25-2/h16-17H,3-15H2,1-2H3/t17-,20-/m1/s1
InChIKeyFYKGXHRLEBAWCV-YLJYHZDGSA-N
MW366.50 g/mol
LogP2.07
Rot. Bonds5

About 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone

2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone (PubChem CID 135108988) has the molecular formula C20H34N2O4 and a molecular weight of 366.50 g/mol. Its IUPAC name is 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
PubChem CID135108988
Molecular FormulaC20H34N2O4
Molecular Weight366.50 g/mol
Exact Mass366.25
IUPAC Name2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)CC1
InChIInChI=1S/C20H34N2O4/c1-3-26-14-18(23)21-12-7-16(8-13-21)19(24)22-11-5-10-20(15-22)9-4-6-17(20)25-2/h16-17H,3-15H2,1-2H3/t17-,20-/m1/s1
InChIKeyFYKGXHRLEBAWCV-YLJYHZDGSA-N
XLogP2.07
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

cycloheptyl-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]methanone
CID 135106446
2-ethoxy-1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 135101216
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 135100752
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-ethoxyethanone
CID 60637524
formic acid;1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-piperidin-1-ylethanone
CID 154917887
1-[4-(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-carbonyl)piperidin-1-yl]-2-ethoxyethanone
CID 163317064
1-[(4R,5S)-4-methoxy-7-azaspiro[4.5]decan-7-yl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 135115085
2-(1H-benzimidazol-2-ylmethoxy)-1-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decan-7-yl]ethanone
CID 164695031
2-ethoxy-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 60958052
2-ethoxy-1-(4-methylazepan-1-yl)ethanone
CID 62046305
2-ethoxy-1-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115874750
2-ethoxy-1-(4-hydroxypiperidin-1-yl)ethanone
CID 43391718

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone (CID 135108988) is 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC(C(=O)N2CCC[C@]3(CCC[C@H]3OC)C2)CC1.
What is the InChIKey of 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is FYKGXHRLEBAWCV-YLJYHZDGSA-N. The full InChI is InChI=1S/C20H34N2O4/c1-3-26-14-18(23)21-12-7-16(8-13-21)19(24)22-11-5-10-20(15-22)9-4-6-17(20)25-2/h16-17H,3-15H2,1-2H3/t17-,20-/m1/s1.
What are the key properties of 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone?
2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 366.50 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-[(4R,5R)-4-methoxy-7-azaspiro[4.5]decane-7-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 135108988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).