About N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride
N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 69182090) has the molecular formula C29H34ClFN4O4
and a molecular weight of 557.07 g/mol. Its IUPAC name is N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride.
Molecular Properties
| Compound Name | N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride |
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| PubChem CID | 69182090 |
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| Molecular Formula | C29H34ClFN4O4 |
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| Molecular Weight | 557.07 g/mol |
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| Exact Mass | 556.23 |
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| IUPAC Name | N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride |
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| SMILES | Cl.NCC(O)CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1 |
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| InChI | InChI=1S/C29H33FN4O4.ClH/c30-24-9-7-22(8-10-24)29(38)34-13-11-21(12-14-34)27(36)33-26(28(37)32-18-25(35)17-31)16-19-5-6-20-3-1-2-4-23(20)15-19;/h1-10,15,21,25-26,35H,11-14,16-18,31H2,(H,32,37)(H,33,36);1H |
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| InChIKey | OBHVNRPHZKAMPB-UHFFFAOYSA-N |
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| XLogP | 2.42 |
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| TPSA | 124.76 Ų |
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| H-Bond Donors | 4 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 39 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 557.07 |
| LogP ≤ 5 | 2.42 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride (CID 69182090) is N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride is Cl.NCC(O)CNC(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is OBHVNRPHZKAMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN4O4.ClH/c30-24-9-7-22(8-10-24)29(38)34-13-11-21(12-14-34)27(36)33-26(28(37)32-18-25(35)17-31)16-19-5-6-20-3-1-2-4-23(20)15-19;/h1-10,15,21,25-26,35H,11-14,16-18,31H2,(H,32,37)(H,33,36);1H.
What are the key properties of N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride?
N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 557.07 g/mol, XLogP of 2.42, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-amino-2-hydroxypropyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 69182090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).