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

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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).