About N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 125173087) has the molecular formula C20H29N5O4
and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
Molecular Properties
| Compound Name | N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide |
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| PubChem CID | 125173087 |
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| Molecular Formula | C20H29N5O4 |
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| Molecular Weight | 403.48 g/mol |
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| Exact Mass | 403.22 |
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| IUPAC Name | N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide |
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| SMILES | O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cnc[nH]c1=O |
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| InChI | InChI=1S/C20H29N5O4/c26-18-12-29-16(7-22-19(27)17-8-21-13-23-20(17)28)11-25(18)10-15-3-5-24(6-4-15)9-14-1-2-14/h8,13-16H,1-7,9-12H2,(H,22,27)(H,21,23,28)/t16-/m0/s1 |
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| InChIKey | ZTPHXSOIYKXLAV-INIZCTEOSA-N |
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| XLogP | -0.15 |
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| TPSA | 107.63 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 29 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 403.48 |
| LogP ≤ 5 | -0.15 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 125173087) is N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is O=C(NC[C@H]1CN(CC2CCN(CC3CC3)CC2)C(=O)CO1)c1cnc[nH]c1=O.
What is the InChIKey of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is ZTPHXSOIYKXLAV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O4/c26-18-12-29-16(7-22-19(27)17-8-21-13-23-20(17)28)11-25(18)10-15-3-5-24(6-4-15)9-14-1-2-14/h8,13-16H,1-7,9-12H2,(H,22,27)(H,21,23,28)/t16-/m0/s1.
What are the key properties of N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide?
N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 403.48 g/mol, XLogP of -0.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]-5-oxomorpholin-2-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 125173087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).