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

C15H26N2O3 — CID 109013639

IUPAC3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESO=C(CCNC1CCCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H26N2O3/c18-14(5-8-16-13-3-1-2-4-13)17-9-6-15(7-10-17)19-11-12-20-15/h13,16H,1-12H2
InChIKeyCIWKLTODLIWGDS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.27
Rot. Bonds4

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

3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (PubChem CID 109013639) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.

Molecular Properties

Compound Name3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
PubChem CID109013639
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
SMILESO=C(CCNC1CCCC1)N1CCC2(CC1)OCCO2
InChIInChI=1S/C15H26N2O3/c18-14(5-8-16-13-3-1-2-4-13)17-9-6-15(7-10-17)19-11-12-20-15/h13,16H,1-12H2
InChIKeyCIWKLTODLIWGDS-UHFFFAOYSA-N
XLogP1.27
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(propan-2-ylamino)propan-1-one
CID 109011707
3-cyclohexyl-1-(1,5-dioxa-9-azaspiro[5.5]undecan-9-yl)propan-1-one
CID 90510415
3-(oxepan-4-ylamino)-1-piperidin-1-ylpropan-1-one
CID 112549732
1-morpholin-4-yl-3-(spiro[4.5]decan-8-ylamino)propan-1-one
CID 114817889
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941979
3-(cyclopropylamino)-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62972370
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(2-ethylpiperidin-1-yl)propan-1-one
CID 109028358
1-(4-cyclopentylpiperazin-1-yl)-3-(cyclopropylamino)propan-1-one
CID 62368291
2-(1,4-dioxaspiro[4.5]decan-8-yl)-1-pyrrolidin-1-ylethanone
CID 102852261
1-cyclopropyl-3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]urea
CID 112994194
3-(cyclopropylamino)-1-piperazin-1-ylpropan-1-one
CID 60866002
5-bromo-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pentan-1-one
CID 107910404

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The IUPAC name of 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one (CID 109013639) is 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one.
What is the SMILES notation for 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The canonical SMILES for 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is O=C(CCNC1CCCC1)N1CCC2(CC1)OCCO2.
What is the InChIKey of 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
The InChIKey is CIWKLTODLIWGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c18-14(5-8-16-13-3-1-2-4-13)17-9-6-15(7-10-17)19-11-12-20-15/h13,16H,1-12H2.
What are the key properties of 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one?
3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one has a molecular weight of 282.38 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one is sourced from PubChem (CID 109013639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).