1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one

C17H30N2O3 — CID 109028358

IUPAC1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1CCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H30N2O3/c1-2-15-5-3-4-9-18(15)10-6-16(20)19-11-7-17(8-12-19)21-13-14-22-17/h15H,2-14H2,1H3
InChIKeySFHDRCBBGDWNGW-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.01
Rot. Bonds4

About 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one (PubChem CID 109028358) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one
PubChem CID109028358
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Name1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one
SMILESCCC1CCCCN1CCC(=O)N1CCC2(CC1)OCCO2
InChIInChI=1S/C17H30N2O3/c1-2-15-5-3-4-9-18(15)10-6-16(20)19-11-7-17(8-12-19)21-13-14-22-17/h15H,2-14H2,1H3
InChIKeySFHDRCBBGDWNGW-UHFFFAOYSA-N
XLogP2.01
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109003227
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 109013639
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-methylsulfanylpropan-1-one
CID 112725542
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)octan-1-one
CID 122136542
3-(2-ethylpiperidin-1-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 109032718
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methyldiazirin-3-yl)propan-1-one
CID 172882467

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one (CID 109028358) is 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one is CCC1CCCCN1CCC(=O)N1CCC2(CC1)OCCO2.
What is the InChIKey of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one?
The InChIKey is SFHDRCBBGDWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-2-15-5-3-4-9-18(15)10-6-16(20)19-11-7-17(8-12-19)21-13-14-22-17/h15H,2-14H2,1H3.
What are the key properties of 1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one?
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one has a molecular weight of 310.44 g/mol, XLogP of 2.01, 4 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)-3-(2-ethylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 109028358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).