About N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide
N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (PubChem CID 22260603) has the molecular formula C30H45N5O3
and a molecular weight of 523.72 g/mol. Its IUPAC name is N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
Molecular Properties
| Compound Name | N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide |
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| PubChem CID | 22260603 |
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| Molecular Formula | C30H45N5O3 |
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| Molecular Weight | 523.72 g/mol |
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| Exact Mass | 523.35 |
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| IUPAC Name | N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide |
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| SMILES | CC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C2CCC(c3ccccc3)CC2)CC1 |
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| InChI | InChI=1S/C30H45N5O3/c1-29(2,3)21-26(32-28(37)35-17-19-38-20-18-35)27(36)33-30(22-31)13-15-34(16-14-30)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-8,24-26H,9-21H2,1-3H3,(H,32,37)(H,33,36) |
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| InChIKey | VBERUEPIJTXUGA-UHFFFAOYSA-N |
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| XLogP | 4.03 |
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| TPSA | 97.70 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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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 | 523.72 |
| LogP ≤ 5 | 4.03 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide (CID 22260603) is N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is CC(C)(C)CC(NC(=O)N1CCOCC1)C(=O)NC1(C#N)CCN(C2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
The InChIKey is VBERUEPIJTXUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H45N5O3/c1-29(2,3)21-26(32-28(37)35-17-19-38-20-18-35)27(36)33-30(22-31)13-15-34(16-14-30)25-11-9-24(10-12-25)23-7-5-4-6-8-23/h4-8,24-26H,9-21H2,1-3H3,(H,32,37)(H,33,36).
What are the key properties of N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide?
N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide has a molecular weight of 523.72 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-cyano-1-(4-phenylcyclohexyl)piperidin-4-yl]amino]-4,4-dimethyl-1-oxopentan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 22260603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).