1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one

C21H37N3O — CID 158953751

IUPAC1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one
SMILESCCC1C(N2CCC(C3CCCN(CC)C3=O)CC2)CC12CCNC2
InChIInChI=1S/C21H37N3O/c1-3-18-19(14-21(18)9-10-22-15-21)24-12-7-16(8-13-24)17-6-5-11-23(4-2)20(17)25/h16-19,22H,3-15H2,1-2H3
InChIKeyJLTCXCGBZMEIRY-UHFFFAOYSA-N
MW347.55 g/mol
LogP2.74
Rot. Bonds4

About 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one

1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one (PubChem CID 158953751) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one
PubChem CID158953751
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC Name1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one
SMILESCCC1C(N2CCC(C3CCCN(CC)C3=O)CC2)CC12CCNC2
InChIInChI=1S/C21H37N3O/c1-3-18-19(14-21(18)9-10-22-15-21)24-12-7-16(8-13-24)17-6-5-11-23(4-2)20(17)25/h16-19,22H,3-15H2,1-2H3
InChIKeyJLTCXCGBZMEIRY-UHFFFAOYSA-N
XLogP2.74
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one?
The IUPAC name of 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one (CID 158953751) is 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one.
What is the SMILES notation for 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one?
The canonical SMILES for 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one is CCC1C(N2CCC(C3CCCN(CC)C3=O)CC2)CC12CCNC2.
What is the InChIKey of 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one?
The InChIKey is JLTCXCGBZMEIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O/c1-3-18-19(14-21(18)9-10-22-15-21)24-12-7-16(8-13-24)17-6-5-11-23(4-2)20(17)25/h16-19,22H,3-15H2,1-2H3.
What are the key properties of 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one?
1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one has a molecular weight of 347.55 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one is sourced from PubChem (CID 158953751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).