5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one

C22H32N2O2 — CID 129073951

IUPAC5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCC(C)N1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C22H32N2O2/c1-17(2)24-16-20(26-22(11-12-22)21(24)25)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3
InChIKeyKBLGGNKBCZLECW-UHFFFAOYSA-N
MW356.51 g/mol
LogP3.11
Rot. Bonds5

About 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one

5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one (PubChem CID 129073951) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one.

Molecular Properties

Compound Name5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
PubChem CID129073951
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one
SMILESCC(C)N1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O
InChIInChI=1S/C22H32N2O2/c1-17(2)24-16-20(26-22(11-12-22)21(24)25)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3
InChIKeyKBLGGNKBCZLECW-UHFFFAOYSA-N
XLogP3.11
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one with MolForge

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Related Compounds

1-(2-phenylethyl)-4-propan-2-ylpiperidine
CID 18683008
2-[1-(2-phenylethyl)piperidin-4-yl]-2,3-dihydrochromen-4-one
CID 45487215
1-(3-methylbutyl)-8-(2-phenylethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221742
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947
(5S)-5-(1-benzylazetidin-3-yl)-7-phenyl-4-oxa-7-azaspiro[2.5]octan-8-one
CID 129053774
4-phenyl-1-(2-phenylethyl)piperidine
CID 54327803
1-(2-phenylethyl)-N-(1-propan-2-ylpiperidin-4-yl)piperidin-4-amine
CID 119165057
5-methyl-9-(2-phenylethyl)-4-propan-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 70552478
1,3-dimethyl-3-[1-(2-phenylethyl)piperidin-4-yl]azepan-2-one
CID 110261989
(3aS,6aR)-2-methyl-5-(2-phenylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118534999
2-[[1-(2-phenylethyl)piperidin-4-yl]amino]propanoic acid
CID 61499758
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
The IUPAC name of 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one (CID 129073951) is 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one.
What is the SMILES notation for 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
The canonical SMILES for 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one is CC(C)N1CC(C2CCN(CCc3ccccc3)CC2)OC2(CC2)C1=O.
What is the InChIKey of 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
The InChIKey is KBLGGNKBCZLECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-17(2)24-16-20(26-22(11-12-22)21(24)25)19-9-14-23(15-10-19)13-8-18-6-4-3-5-7-18/h3-7,17,19-20H,8-16H2,1-2H3.
What are the key properties of 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one?
5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one has a molecular weight of 356.51 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-phenylethyl)piperidin-4-yl]-7-propan-2-yl-4-oxa-7-azaspiro[2.5]octan-8-one is sourced from PubChem (CID 129073951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).