cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C17H29NO3 — CID 97487110

IUPACcyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOCC[C@@H]1COC2(CCN(C(=O)C3CCCC3)CC2)C1
InChIInChI=1S/C17H29NO3/c1-20-11-6-14-12-17(21-13-14)7-9-18(10-8-17)16(19)15-4-2-3-5-15/h14-15H,2-13H2,1H3/t14-/m0/s1
InChIKeyBQZDQCWDHXRFJC-AWEZNQCLSA-N
MW295.42 g/mol
LogP2.61
Rot. Bonds4

About cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 97487110) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Namecyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID97487110
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Namecyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCOCC[C@@H]1COC2(CCN(C(=O)C3CCCC3)CC2)C1
InChIInChI=1S/C17H29NO3/c1-20-11-6-14-12-17(21-13-14)7-9-18(10-8-17)16(19)15-4-2-3-5-15/h14-15H,2-13H2,1H3/t14-/m0/s1
InChIKeyBQZDQCWDHXRFJC-AWEZNQCLSA-N
XLogP2.61
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone with MolForge

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Related Compounds

cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114
[(3R)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394793
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-phenylmethanone
CID 97394794
[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97487075
cyclopentyl-[(4S)-4-[(4-methoxyphenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 164626454
2-methoxy-1-[7-(2-methoxyethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 146074060
[(3S)-3-methoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-(thian-4-yl)methanone
CID 97418772
[(3S,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 97394064
[3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-pyridin-3-ylmethanone
CID 131645397
[(3R,5S)-3-(2-methoxyethyl)-1-oxa-7-azaspiro[4.4]nonan-7-yl]-thiophen-3-ylmethanone
CID 97485356
(3,3-difluorocyclobutyl)-[4-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 131650244
azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 122569705

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 97487110) is cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is COCC[C@@H]1COC2(CCN(C(=O)C3CCCC3)CC2)C1.
What is the InChIKey of cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is BQZDQCWDHXRFJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H29NO3/c1-20-11-6-14-12-17(21-13-14)7-9-18(10-8-17)16(19)15-4-2-3-5-15/h14-15H,2-13H2,1H3/t14-/m0/s1.
What are the key properties of cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 295.42 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97487110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).