(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone

C21H26N2O2 — CID 134074955

IUPAC(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCCC1COC2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1
InChIInChI=1S/C21H26N2O2/c1-2-17-14-21(25-15-17)10-5-13-23(16-21)20(24)18-6-8-19(9-7-18)22-11-3-4-12-22/h3-4,6-9,11-12,17H,2,5,10,13-16H2,1H3
InChIKeyFNACVRULUPNNIP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.90
Rot. Bonds3

About (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone

(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone (PubChem CID 134074955) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
PubChem CID134074955
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone
SMILESCCC1COC2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1
InChIInChI=1S/C21H26N2O2/c1-2-17-14-21(25-15-17)10-5-13-23(16-21)20(24)18-6-8-19(9-7-18)22-11-3-4-12-22/h3-4,6-9,11-12,17H,2,5,10,13-16H2,1H3
InChIKeyFNACVRULUPNNIP-UHFFFAOYSA-N
XLogP3.90
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 131644624
[3-(morpholin-4-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 131642214
[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-(3-hydroxyphenyl)methanone
CID 97488632
[(3S,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97395128
(4-hydroxyphenyl)-[(3R,5R)-3-(2-methoxyethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395183
[(3S,5R)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]-pyrazin-2-ylmethanone
CID 97488610
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R,5S)-3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97395135
pyrrolidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 3728001
piperidin-1-yl-(4-pyrrol-1-ylphenyl)methanone
CID 1472874
[(6R)-11-propan-2-yl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 97494398
[(3S,5S)-3-ethyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]-[(2R)-oxolan-2-yl]methanone
CID 124914020
[(3S,5R)-3-(pyrrolidin-1-ylmethyl)-1-oxa-9-azaspiro[4.5]decan-9-yl]-quinolin-3-ylmethanone
CID 97494033

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone?
The IUPAC name of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone (CID 134074955) is (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone.
What is the SMILES notation for (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone?
The canonical SMILES for (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone is CCC1COC2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1.
What is the InChIKey of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone?
The InChIKey is FNACVRULUPNNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-2-17-14-21(25-15-17)10-5-13-23(16-21)20(24)18-6-8-19(9-7-18)22-11-3-4-12-22/h3-4,6-9,11-12,17H,2,5,10,13-16H2,1H3.
What are the key properties of (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone?
(3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone has a molecular weight of 338.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-1-oxa-9-azaspiro[4.5]decan-9-yl)-(4-pyrrol-1-ylphenyl)methanone is sourced from PubChem (CID 134074955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).