[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

C19H24N2O4 — CID 109051667

IUPAC[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1)N1CCCC1
InChIInChI=1S/C19H24N2O4/c22-17(20-8-1-2-9-20)15-4-3-5-16(14-15)18(23)21-10-6-19(7-11-21)24-12-13-25-19/h3-5,14H,1-2,6-13H2
InChIKeyLFKRZFXZSSLXTA-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.90
Rot. Bonds2

About [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone

[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 109051667) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID109051667
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1)N1CCCC1
InChIInChI=1S/C19H24N2O4/c22-17(20-8-1-2-9-20)15-4-3-5-16(14-15)18(23)21-10-6-19(7-11-21)24-12-13-25-19/h3-5,14H,1-2,6-13H2
InChIKeyLFKRZFXZSSLXTA-UHFFFAOYSA-N
XLogP1.90
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl] acetate
CID 57224433
1-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]pyrrolidin-2-one
CID 3240026
[3-(morpholine-4-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109051623
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(3-fluorobenzoyl)piperidin-4-yl]methanone
CID 113005055
2-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenoxy]acetamide
CID 43057736
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-fluorophenyl)benzamide
CID 109055728
3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N-(2-methoxyphenyl)benzamide
CID 109055730
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 20973307
[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-2-pyridinyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20929909
(3,5-dimethylphenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 17250049
(3R)-3-[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-N-ethylpiperidine-1-carboxamide
CID 92872896
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-pyridinyl]methanone
CID 109173959

Frequently Asked Questions

What is the IUPAC name of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone (CID 109051667) is [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1cccc(C(=O)N2CCC3(CC2)OCCO3)c1)N1CCCC1.
What is the InChIKey of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LFKRZFXZSSLXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c22-17(20-8-1-2-9-20)15-4-3-5-16(14-15)18(23)21-10-6-19(7-11-21)24-12-13-25-19/h3-5,14H,1-2,6-13H2.
What are the key properties of [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone?
[3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 344.41 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 109051667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).