4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide

C31H44N4O — CID 166492066

IUPAC4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
SMILESCC(C)c1ccccc1C1CN(C(C)C)CCN1C1CC2(CCN(c3ccc(C(N)=O)cc3)CC2)C1
InChIInChI=1S/C31H44N4O/c1-22(2)27-7-5-6-8-28(27)29-21-34(23(3)4)17-18-35(29)26-19-31(20-26)13-15-33(16-14-31)25-11-9-24(10-12-25)30(32)36/h5-12,22-23,26,29H,13-21H2,1-4H3,(H2,32,36)
InChIKeyWCNKZEQFSRTJNO-UHFFFAOYSA-N
MW488.72 g/mol
LogP5.43
Rot. Bonds6

About 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide

4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide (PubChem CID 166492066) has the molecular formula C31H44N4O and a molecular weight of 488.72 g/mol. Its IUPAC name is 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide.

Molecular Properties

Compound Name4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
PubChem CID166492066
Molecular FormulaC31H44N4O
Molecular Weight488.72 g/mol
Exact Mass488.35
IUPAC Name4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide
SMILESCC(C)c1ccccc1C1CN(C(C)C)CCN1C1CC2(CCN(c3ccc(C(N)=O)cc3)CC2)C1
InChIInChI=1S/C31H44N4O/c1-22(2)27-7-5-6-8-28(27)29-21-34(23(3)4)17-18-35(29)26-19-31(20-26)13-15-33(16-14-31)25-11-9-24(10-12-25)30(32)36/h5-12,22-23,26,29H,13-21H2,1-4H3,(H2,32,36)
InChIKeyWCNKZEQFSRTJNO-UHFFFAOYSA-N
XLogP5.43
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.72
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
The IUPAC name of 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide (CID 166492066) is 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide.
What is the SMILES notation for 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
The canonical SMILES for 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide is CC(C)c1ccccc1C1CN(C(C)C)CCN1C1CC2(CCN(c3ccc(C(N)=O)cc3)CC2)C1.
What is the InChIKey of 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
The InChIKey is WCNKZEQFSRTJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H44N4O/c1-22(2)27-7-5-6-8-28(27)29-21-34(23(3)4)17-18-35(29)26-19-31(20-26)13-15-33(16-14-31)25-11-9-24(10-12-25)30(32)36/h5-12,22-23,26,29H,13-21H2,1-4H3,(H2,32,36).
What are the key properties of 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide?
4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide has a molecular weight of 488.72 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-propan-2-yl-2-(2-propan-2-ylphenyl)piperazin-1-yl]-7-azaspiro[3.5]nonan-7-yl]benzamide is sourced from PubChem (CID 166492066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).