About 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one
4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one (PubChem CID 139370274) has the molecular formula C29H38N4O3
and a molecular weight of 490.65 g/mol. Its IUPAC name is 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one.
Molecular Properties
| Compound Name | 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one |
|---|
| PubChem CID | 139370274 |
|---|
| Molecular Formula | C29H38N4O3 |
|---|
| Molecular Weight | 490.65 g/mol |
|---|
| Exact Mass | 490.29 |
|---|
| IUPAC Name | 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one |
|---|
| SMILES | O=C(N1CC[C@@](O)(Cn2ccc(C3CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1 |
|---|
| InChI | InChI=1S/C29H38N4O3/c34-26-18-24(22-8-9-22)10-15-31(26)21-29(36)13-16-32(20-28(29)11-4-5-12-28)27(35)33-17-14-30-19-25(33)23-6-2-1-3-7-23/h1-3,6-7,10,15,18,22,25,30,36H,4-5,8-9,11-14,16-17,19-21H2/t25-,29+/m0/s1 |
|---|
| InChIKey | KHFQPEUSVHBHRR-ABYGYWHVSA-N |
|---|
| XLogP | 3.49 |
|---|
| TPSA | 77.81 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 4 |
|---|
| Heavy Atoms | 36 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 490.65 |
| LogP ≤ 5 | 3.49 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-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 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one?
The IUPAC name of 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one (CID 139370274) is 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one.
What is the SMILES notation for 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one?
The canonical SMILES for 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one is O=C(N1CC[C@@](O)(Cn2ccc(C3CC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one?
The InChIKey is KHFQPEUSVHBHRR-ABYGYWHVSA-N. The full InChI is InChI=1S/C29H38N4O3/c34-26-18-24(22-8-9-22)10-15-31(26)21-29(36)13-16-32(20-28(29)11-4-5-12-28)27(35)33-17-14-30-19-25(33)23-6-2-1-3-7-23/h1-3,6-7,10,15,18,22,25,30,36H,4-5,8-9,11-14,16-17,19-21H2/t25-,29+/m0/s1.
What are the key properties of 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one?
4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one has a molecular weight of 490.65 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyridin-2-one is sourced from PubChem (CID 139370274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).