1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone

C15H28N2O3 — CID 78897408

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone
SMILESCCCN(CCC)CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H28N2O3/c1-3-7-16(8-4-2)13-14(18)17-9-5-15(6-10-17)19-11-12-20-15/h3-13H2,1-2H3
InChIKeyKSYXFWOWAPIQAN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.47
Rot. Bonds6

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone (PubChem CID 78897408) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone
PubChem CID78897408
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone
SMILESCCCN(CCC)CC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H28N2O3/c1-3-7-16(8-4-2)13-14(18)17-9-5-15(6-10-17)19-11-12-20-15/h3-13H2,1-2H3
InChIKeyKSYXFWOWAPIQAN-UHFFFAOYSA-N
XLogP1.47
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-N-methyl-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 108989729
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-iodoethanone
CID 54422172
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 113149281
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(3-methoxypropyl)methanesulfonamide
CID 113149469
4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylcyclohexane-1-carboxamide
CID 109149331
N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-N-(2-phenylethyl)acetamide
CID 113164001
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
5-bromo-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pentan-1-one
CID 107910404
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
CID 122136542
N-(2,6-dimethylphenyl)-N-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]acetamide
CID 113168682
2-[3-aminopropyl(propyl)amino]-1-pyrrolidin-1-ylethanone
CID 43137313

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone (CID 78897408) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone is CCCN(CCC)CC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone?
The InChIKey is KSYXFWOWAPIQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-7-16(8-4-2)13-14(18)17-9-5-15(6-10-17)19-11-12-20-15/h3-13H2,1-2H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone has a molecular weight of 284.40 g/mol, XLogP of 1.47, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(dipropylamino)ethanone is sourced from PubChem (CID 78897408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).