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

C15H29N3O3 — CID 97491891

IUPAC1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)COCCN2CCN(C)C
InChIInChI=1S/C15H29N3O3/c1-16(2)8-9-18-10-11-21-13-15(18)4-6-17(7-5-15)14(19)12-20-3/h4-13H2,1-3H3
InChIKeyUKTLKOHJDSEALO-UHFFFAOYSA-N
MW299.41 g/mol
LogP-0.11
Rot. Bonds5

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

1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone (PubChem CID 97491891) has the molecular formula C15H29N3O3 and a molecular weight of 299.41 g/mol. Its IUPAC name is 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
PubChem CID97491891
Molecular FormulaC15H29N3O3
Molecular Weight299.41 g/mol
Exact Mass299.22
IUPAC Name1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC2(CC1)COCCN2CCN(C)C
InChIInChI=1S/C15H29N3O3/c1-16(2)8-9-18-10-11-21-13-15(18)4-6-17(7-5-15)14(19)12-20-3/h4-13H2,1-3H3
InChIKeyUKTLKOHJDSEALO-UHFFFAOYSA-N
XLogP-0.11
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-methoxyethanone?
The IUPAC name of 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone (CID 97491891) is 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone?
The canonical SMILES for 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone is COCC(=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-methoxyethanone?
The InChIKey is UKTLKOHJDSEALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-16(2)8-9-18-10-11-21-13-15(18)4-6-17(7-5-15)14(19)12-20-3/h4-13H2,1-3H3.
What are the key properties of 1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone?
1-[1-[2-(dimethylamino)ethyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]-2-methoxyethanone has a molecular weight of 299.41 g/mol, XLogP of -0.11, 5 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-methoxyethanone is sourced from PubChem (CID 97491891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).