1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone

C17H27N3O3 — CID 167975848

IUPAC1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1=NOC2(CCNCC2)C1)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C17H27N3O3/c21-16(15-11-17(23-19-15)4-6-18-7-5-17)20-8-1-14(12-20)13-2-9-22-10-3-13/h13-14,18H,1-12H2
InChIKeySFVMNMTVVUWOTG-UHFFFAOYSA-N
MW321.42 g/mol
LogP1.16
Rot. Bonds2

About 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone

1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 167975848) has the molecular formula C17H27N3O3 and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone
PubChem CID167975848
Molecular FormulaC17H27N3O3
Molecular Weight321.42 g/mol
Exact Mass321.21
IUPAC Name1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone
SMILESO=C(C1=NOC2(CCNCC2)C1)N1CCC(C2CCOCC2)C1
InChIInChI=1S/C17H27N3O3/c21-16(15-11-17(23-19-15)4-6-18-7-5-17)20-8-1-14(12-20)13-2-9-22-10-3-13/h13-14,18H,1-12H2
InChIKeySFVMNMTVVUWOTG-UHFFFAOYSA-N
XLogP1.16
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(oxan-4-yl)pyrrolidin-1-yl]-(5-piperidin-4-yl-1,3-oxazol-4-yl)methanone
CID 167879614
1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 86633507
1-oxa-2,9-diazaspiro[4.5]dec-2-en-3-yl(pyrrolidin-1-yl)methanone;hydrochloride
CID 138039492
8-(2-piperidin-4-ylacetyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 95043253
oxan-4-yl-(4-piperidin-4-ylpiperidin-1-yl)methanone
CID 167312068
methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate;hydrochloride
CID 75412059
(4-hydroxythian-4-yl)-[(3R)-3-(oxan-4-yl)pyrrolidin-1-yl]methanone
CID 129348482
(5S)-N-(cyclopropylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-3-carboxamide
CID 97408003
[3-(oxan-4-yl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 138056597
methyl 3-piperidin-4-ylpyrrolidine-1-carboxylate
CID 115269595
(2,3-dimethyl-1H-indol-7-yl)-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone
CID 71909803
1-[3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]-2-(4-piperidin-4-ylpiperidin-1-yl)ethane-1,2-dione
CID 167755493

Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone (CID 167975848) is 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone is O=C(C1=NOC2(CCNCC2)C1)N1CCC(C2CCOCC2)C1.
What is the InChIKey of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is SFVMNMTVVUWOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3/c21-16(15-11-17(23-19-15)4-6-18-7-5-17)20-8-1-14(12-20)13-2-9-22-10-3-13/h13-14,18H,1-12H2.
What are the key properties of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone?
1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 321.42 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl-[3-(oxan-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167975848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).