2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone

C20H28N2O3 — CID 71845070

IUPAC2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCCC2(C1)OCCO2)N1CCCCC1
InChIInChI=1S/C20H28N2O3/c23-19(21-11-5-2-6-12-21)18(17-8-3-1-4-9-17)22-13-7-10-20(16-22)24-14-15-25-20/h1,3-4,8-9,18H,2,5-7,10-16H2
InChIKeyYKGWAKIOGYUHMP-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.58
Rot. Bonds3

About 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone

2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone (PubChem CID 71845070) has the molecular formula C20H28N2O3 and a molecular weight of 344.45 g/mol. Its IUPAC name is 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone
PubChem CID71845070
Molecular FormulaC20H28N2O3
Molecular Weight344.45 g/mol
Exact Mass344.21
IUPAC Name2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone
SMILESO=C(C(c1ccccc1)N1CCCC2(C1)OCCO2)N1CCCCC1
InChIInChI=1S/C20H28N2O3/c23-19(21-11-5-2-6-12-21)18(17-8-3-1-4-9-17)22-13-7-10-20(16-22)24-14-15-25-20/h1,3-4,8-9,18H,2,5-7,10-16H2
InChIKeyYKGWAKIOGYUHMP-UHFFFAOYSA-N
XLogP2.58
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone with MolForge

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Related Compounds

(2S)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-phenyl-2-pyrrolidin-1-ylethanone
CID 94750035
2-phenyl-1-piperidin-1-yl-2-pyrrolidin-1-ylethanone
CID 47010733
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenylpropan-1-one
CID 104920427
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120772241
2-(4-amino-3,3-dimethylpiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone;hydrochloride
CID 120774986
2-(4-hydroxypiperidin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 43013126
2-[3-(methylamino)piperidin-1-yl]-2-phenyl-1-piperidin-1-ylethanone
CID 119918296
(2S)-2-(4-benzoylpiperazin-1-yl)-2-phenyl-1-piperidin-1-ylethanone
CID 8597142
1,2-dimorpholin-4-yl-2-phenylethanone
CID 657415
2-phenyl-2-piperidin-1-yl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone
CID 46978264
(3aS,6aR)-2-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid;hydrochloride
CID 120681342
1,2-dimorpholin-4-yl-2-phenylethanone;hydrochloride
CID 6603248

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone?
The IUPAC name of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone (CID 71845070) is 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone is O=C(C(c1ccccc1)N1CCCC2(C1)OCCO2)N1CCCCC1.
What is the InChIKey of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone?
The InChIKey is YKGWAKIOGYUHMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c23-19(21-11-5-2-6-12-21)18(17-8-3-1-4-9-17)22-13-7-10-20(16-22)24-14-15-25-20/h1,3-4,8-9,18H,2,5-7,10-16H2.
What are the key properties of 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone?
2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone has a molecular weight of 344.45 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-2-phenyl-1-piperidin-1-ylethanone is sourced from PubChem (CID 71845070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).