1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone

C16H31N3O3 — CID 97491892

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC2(CC1)COCCN2CCN(C)C
InChIInChI=1S/C16H31N3O3/c1-4-21-13-15(20)18-7-5-16(6-8-18)14-22-12-11-19(16)10-9-17(2)3/h4-14H2,1-3H3
InChIKeyNXSFFUGYPOIBSH-UHFFFAOYSA-N
MW313.44 g/mol
LogP0.28
Rot. Bonds6

About 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone

1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone (PubChem CID 97491892) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone
PubChem CID97491892
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone
SMILESCCOCC(=O)N1CCC2(CC1)COCCN2CCN(C)C
InChIInChI=1S/C16H31N3O3/c1-4-21-13-15(20)18-7-5-16(6-8-18)14-22-12-11-19(16)10-9-17(2)3/h4-14H2,1-3H3
InChIKeyNXSFFUGYPOIBSH-UHFFFAOYSA-N
XLogP0.28
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-Ethoxy-1-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97491871
1-[1-[2-(Dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
CID 97491891
1-[1-[2-(Dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97491893
Cyclopropyl-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97491895
2-methoxy-1-(4-{[(S)-2-methyl-4-methyl-1-piperazinyl]methyl}-1-piperidyl)-1-ethanone
CID 97039566
1,9-Dimethyl-4-[(2,2,3,3-tetrafluoropropoxy)acetyl]-1,4,9-triazaspiro[5.5]undecane
CID 56746732
9-(Methoxyacetyl)-1-methyl-4-(tetrahydrofuran-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecane
CID 56742423
9-(Butoxyacetyl)-1,4-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56746776
1-(4-((2,4-Dimethylpiperazin-1-yl)methyl)piperidin-1-yl)-2-methoxyethanone
CID 71784714
1-(4-((2,4-Dimethylpiperazin-1-yl)methyl)piperidin-1-yl)-2-ethoxyethanone
CID 71784717
2-Ethoxy-1-[1-(2-ethoxyacetyl)-1,4-diazaspiro[5.5]undecan-4-yl]ethanone
CID 72124494
1-[1-[2-(Dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methylpropan-1-one
CID 97409230

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone (CID 97491892) is 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone is CCOCC(=O)N1CCC2(CC1)COCCN2CCN(C)C.
What is the InChIKey of 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone?
The InChIKey is NXSFFUGYPOIBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-4-21-13-15(20)18-7-5-16(6-8-18)14-22-12-11-19(16)10-9-17(2)3/h4-14H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone?
1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone has a molecular weight of 313.44 g/mol, XLogP of 0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-ethoxyethanone is sourced from PubChem (CID 97491892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).