About 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one
1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one (PubChem CID 139369896) has the molecular formula C30H41N5O3
and a molecular weight of 519.69 g/mol. Its IUPAC name is 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one.
Molecular Properties
| Compound Name | 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one |
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| PubChem CID | 139369896 |
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| Molecular Formula | C30H41N5O3 |
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| Molecular Weight | 519.69 g/mol |
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| Exact Mass | 519.32 |
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| IUPAC Name | 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one |
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| SMILES | O=C(N1CC[C@@](O)(Cn2ccc(N3CCCC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1 |
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| InChI | InChI=1S/C30H41N5O3/c36-27-20-25(32-15-6-7-16-32)10-17-33(27)23-30(38)13-18-34(22-29(30)11-4-5-12-29)28(37)35-19-14-31-21-26(35)24-8-2-1-3-9-24/h1-3,8-10,17,20,26,31,38H,4-7,11-16,18-19,21-23H2/t26-,30+/m0/s1 |
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| InChIKey | SMDLGFIPIOGKSY-FREGXXQWSA-N |
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| XLogP | 3.21 |
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| TPSA | 81.05 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 519.69 |
| LogP ≤ 5 | 3.21 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one?
The IUPAC name of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one (CID 139369896) is 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one.
What is the SMILES notation for 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one?
The canonical SMILES for 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one is O=C(N1CC[C@@](O)(Cn2ccc(N3CCCC3)cc2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1.
What is the InChIKey of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one?
The InChIKey is SMDLGFIPIOGKSY-FREGXXQWSA-N. The full InChI is InChI=1S/C30H41N5O3/c36-27-20-25(32-15-6-7-16-32)10-17-33(27)23-30(38)13-18-34(22-29(30)11-4-5-12-29)28(37)35-19-14-31-21-26(35)24-8-2-1-3-9-24/h1-3,8-10,17,20,26,31,38H,4-7,11-16,18-19,21-23H2/t26-,30+/m0/s1.
What are the key properties of 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one?
1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one has a molecular weight of 519.69 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-4-pyrrolidin-1-ylpyridin-2-one is sourced from PubChem (CID 139369896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).