[5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone

C23H34N2O2 — CID 129053765

IUPAC[5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone
SMILESCC(C)CCN1CCC(C2CN(C(=O)c3ccccc3)CC3(CC3)O2)CC1
InChIInChI=1S/C23H34N2O2/c1-18(2)8-13-24-14-9-19(10-15-24)21-16-25(17-23(27-21)11-12-23)22(26)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3
InChIKeyKXDBNEUTCNXTCN-UHFFFAOYSA-N
MW370.54 g/mol
LogP3.82
Rot. Bonds5

About [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone

[5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone (PubChem CID 129053765) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone
PubChem CID129053765
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name[5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone
SMILESCC(C)CCN1CCC(C2CN(C(=O)c3ccccc3)CC3(CC3)O2)CC1
InChIInChI=1S/C23H34N2O2/c1-18(2)8-13-24-14-9-19(10-15-24)21-16-25(17-23(27-21)11-12-23)22(26)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3
InChIKeyKXDBNEUTCNXTCN-UHFFFAOYSA-N
XLogP3.82
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[1-(3-methylbutyl)piperidin-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-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
The IUPAC name of [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone (CID 129053765) is [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone.
What is the SMILES notation for [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
The canonical SMILES for [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone is CC(C)CCN1CCC(C2CN(C(=O)c3ccccc3)CC3(CC3)O2)CC1.
What is the InChIKey of [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
The InChIKey is KXDBNEUTCNXTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-18(2)8-13-24-14-9-19(10-15-24)21-16-25(17-23(27-21)11-12-23)22(26)20-6-4-3-5-7-20/h3-7,18-19,21H,8-17H2,1-2H3.
What are the key properties of [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone?
[5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone has a molecular weight of 370.54 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-(3-methylbutyl)piperidin-4-yl]-4-oxa-7-azaspiro[2.5]octan-7-yl]-phenylmethanone is sourced from PubChem (CID 129053765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).