8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione

C30H39N3O3 — CID 10719846

IUPAC8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1
InChIInChI=1S/C30H39N3O3/c1-23(2)36-27-11-4-3-10-26(27)32-16-14-31(15-17-32)21-24-8-7-9-25(18-24)22-33-28(34)19-30(20-29(33)35)12-5-6-13-30/h3-4,7-11,18,23H,5-6,12-17,19-22H2,1-2H3
InChIKeyLRZBNYMVRJJJKU-UHFFFAOYSA-N
MW489.66 g/mol
LogP5.01
Rot. Bonds7

About 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione

8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 10719846) has the molecular formula C30H39N3O3 and a molecular weight of 489.66 g/mol. Its IUPAC name is 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID10719846
Molecular FormulaC30H39N3O3
Molecular Weight489.66 g/mol
Exact Mass489.30
IUPAC Name8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1
InChIInChI=1S/C30H39N3O3/c1-23(2)36-27-11-4-3-10-26(27)32-16-14-31(15-17-32)21-24-8-7-9-25(18-24)22-33-28(34)19-30(20-29(33)35)12-5-6-13-30/h3-4,7-11,18,23H,5-6,12-17,19-22H2,1-2H3
InChIKeyLRZBNYMVRJJJKU-UHFFFAOYSA-N
XLogP5.01
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.66
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione (CID 10719846) is 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione is CC(C)Oc1ccccc1N1CCN(Cc2cccc(CN3C(=O)CC4(CCCC4)CC3=O)c2)CC1.
What is the InChIKey of 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is LRZBNYMVRJJJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N3O3/c1-23(2)36-27-11-4-3-10-26(27)32-16-14-31(15-17-32)21-24-8-7-9-25(18-24)22-33-28(34)19-30(20-29(33)35)12-5-6-13-30/h3-4,7-11,18,23H,5-6,12-17,19-22H2,1-2H3.
What are the key properties of 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 489.66 g/mol, XLogP of 5.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[3-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]phenyl]methyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 10719846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).