N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide

C22H41N3O3 — CID 45185511

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)C1CCOCC1
InChIInChI=1S/C22H41N3O3/c1-3-24-10-4-5-21(24)18-25(22(26)20-8-14-28-15-9-20)17-19-6-11-23(12-7-19)13-16-27-2/h19-21H,3-18H2,1-2H3
InChIKeyPJALIRLIIVAHQY-UHFFFAOYSA-N
MW395.59 g/mol
LogP2.08
Rot. Bonds9

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide (PubChem CID 45185511) has the molecular formula C22H41N3O3 and a molecular weight of 395.59 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
PubChem CID45185511
Molecular FormulaC22H41N3O3
Molecular Weight395.59 g/mol
Exact Mass395.31
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)C1CCOCC1
InChIInChI=1S/C22H41N3O3/c1-3-24-10-4-5-21(24)18-25(22(26)20-8-14-28-15-9-20)17-19-6-11-23(12-7-19)13-16-27-2/h19-21H,3-18H2,1-2H3
InChIKeyPJALIRLIIVAHQY-UHFFFAOYSA-N
XLogP2.08
TPSA45.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.59
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide (CID 45185511) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)C1CCOCC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
The InChIKey is PJALIRLIIVAHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O3/c1-3-24-10-4-5-21(24)18-25(22(26)20-8-14-28-15-9-20)17-19-6-11-23(12-7-19)13-16-27-2/h19-21H,3-18H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide has a molecular weight of 395.59 g/mol, XLogP of 2.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 45185511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).