About 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one
8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 46234383) has the molecular formula C30H46N4O
and a molecular weight of 478.73 g/mol. Its IUPAC name is 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.
Molecular Properties
| Compound Name | 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one |
|---|
| PubChem CID | 46234383 |
|---|
| Molecular Formula | C30H46N4O |
|---|
| Molecular Weight | 478.73 g/mol |
|---|
| Exact Mass | 478.37 |
|---|
| IUPAC Name | 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one |
|---|
| SMILES | Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(CC3CCCC3)CC2)C1=O |
|---|
| InChI | InChI=1S/C30H46N4O/c1-23-20-26(32-16-11-27(22-32)33-15-5-6-24(33)2)9-10-28(23)34-19-14-30(29(34)35)12-17-31(18-13-30)21-25-7-3-4-8-25/h9-10,20,24-25,27H,3-8,11-19,21-22H2,1-2H3/t24-,27-/m0/s1 |
|---|
| InChIKey | UCQHMKNEBFAFCZ-IGKIAQTJSA-N |
|---|
| XLogP | 5.07 |
|---|
| TPSA | 30.03 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | 5 |
|---|
| Heavy Atoms | 35 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 478.73 |
| LogP ≤ 5 | 5.07 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
|---|
Analyze 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one 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 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one (CID 46234383) is 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1N1CCC2(CCN(CC3CCCC3)CC2)C1=O.
What is the InChIKey of 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is UCQHMKNEBFAFCZ-IGKIAQTJSA-N. The full InChI is InChI=1S/C30H46N4O/c1-23-20-26(32-16-11-27(22-32)33-15-5-6-24(33)2)9-10-28(23)34-19-14-30(29(34)35)12-17-31(18-13-30)21-25-7-3-4-8-25/h9-10,20,24-25,27H,3-8,11-19,21-22H2,1-2H3/t24-,27-/m0/s1.
What are the key properties of 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one?
8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 478.73 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylmethyl)-2-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 46234383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).