About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide (PubChem CID 79313592) has the molecular formula C14H27N3O
and a molecular weight of 253.39 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide.
Molecular Properties
| Compound Name | N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide |
| PubChem CID | 79313592 |
| Molecular Formula | C14H27N3O |
| Molecular Weight | 253.39 g/mol |
| Exact Mass | 253.22 |
| IUPAC Name | N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide |
| SMILES | CCN1CCCC1CN(C)C(=O)C1CCCCN1 |
| InChI | InChI=1S/C14H27N3O/c1-3-17-10-6-7-12(17)11-16(2)14(18)13-8-4-5-9-15-13/h12-13,15H,3-11H2,1-2H3 |
| InChIKey | RCHDNVAUAABOAR-UHFFFAOYSA-N |
| XLogP | 1.07 |
| TPSA | 35.58 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 253.39 |
| LogP ≤ 5 | 1.07 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide (CID 79313592) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide is CCN1CCCC1CN(C)C(=O)C1CCCCN1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
The InChIKey is RCHDNVAUAABOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-17-10-6-7-12(17)11-16(2)14(18)13-8-4-5-9-15-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 79313592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).