2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one

C16H28N2O3 — CID 60931755

IUPAC2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NC1CCC2(CC1)OCCO2)C(=O)N1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-13(15(19)18-9-3-2-4-10-18)17-14-5-7-16(8-6-14)20-11-12-21-16/h13-14,17H,2-12H2,1H3
InChIKeyHQSSZSIYSUUTIB-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.66
Rot. Bonds3

About 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one

2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 60931755) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID60931755
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NC1CCC2(CC1)OCCO2)C(=O)N1CCCCC1
InChIInChI=1S/C16H28N2O3/c1-13(15(19)18-9-3-2-4-10-18)17-14-5-7-16(8-6-14)20-11-12-21-16/h13-14,17H,2-12H2,1H3
InChIKeyHQSSZSIYSUUTIB-UHFFFAOYSA-N
XLogP1.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-1-piperidin-1-ylpropan-1-one
CID 43083612
2-(cycloheptylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43236389
1-(azepan-1-yl)-2-(cyclopentylamino)propan-1-one
CID 43087090
1-(azepan-1-yl)-2-[(3,3-dimethylcyclopentyl)amino]propan-1-one
CID 115880311
2-[(3,3-dimethylcyclopentyl)amino]-1-piperidin-1-ylpropan-1-one
CID 80705947
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-N,N-dimethylpropanamide
CID 43573998
1-piperidin-1-yl-2-[(4-propan-2-ylcyclohexyl)amino]propan-1-one
CID 62707870
(2S)-2-(cyclohexylamino)-1-morpholin-4-ylpropan-1-one
CID 51675158
4-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]piperidine-1-carboxamide
CID 60932505
2-(cyclopentylamino)-1-morpholin-4-ylpropan-1-one
CID 43083614
2-[(2,2-diethyloxan-4-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 83033520
N-[(1S)-1-cyclohexylethyl]-1,4-dioxaspiro[4.5]decan-8-amine
CID 81387414

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one (CID 60931755) is 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one is CC(NC1CCC2(CC1)OCCO2)C(=O)N1CCCCC1.
What is the InChIKey of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is HQSSZSIYSUUTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-13(15(19)18-9-3-2-4-10-18)17-14-5-7-16(8-6-14)20-11-12-21-16/h13-14,17H,2-12H2,1H3.
What are the key properties of 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one?
2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 296.41 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxaspiro[4.5]decan-8-ylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 60931755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).