[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone

C25H30N2O2 — CID 129053725

IUPAC[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C25H30N2O2/c28-24(22-9-5-2-6-10-22)27-18-23(29-25(19-27)13-14-25)21-11-15-26(16-12-21)17-20-7-3-1-4-8-20/h1-10,21,23H,11-19H2
InChIKeyBIAASZQCJXPHGY-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.97
Rot. Bonds4

About [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone

[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone (PubChem CID 129053725) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone
PubChem CID129053725
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CC(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1
InChIInChI=1S/C25H30N2O2/c28-24(22-9-5-2-6-10-22)27-18-23(29-25(19-27)13-14-25)21-11-15-26(16-12-21)17-20-7-3-1-4-8-20/h1-10,21,23H,11-19H2
InChIKeyBIAASZQCJXPHGY-UHFFFAOYSA-N
XLogP3.97
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
The IUPAC name of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone (CID 129053725) is [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone.
What is the SMILES notation for [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
The canonical SMILES for [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone is O=C(c1ccccc1)N1CC(C2CCN(Cc3ccccc3)CC2)OC2(CC2)C1.
What is the InChIKey of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
The InChIKey is BIAASZQCJXPHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c28-24(22-9-5-2-6-10-22)27-18-23(29-25(19-27)13-14-25)21-11-15-26(16-12-21)17-20-7-3-1-4-8-20/h1-10,21,23H,11-19H2.
What are the key properties of [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
[5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone has a molecular weight of 390.53 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzylpiperidin-4-yl)-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone is sourced from PubChem (CID 129053725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).