N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

C20H36N6O2 — CID 42287954

IUPACN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cn1cncn1
InChIInChI=1S/C20H36N6O2/c1-3-24-8-4-5-19(24)14-25(20(27)15-26-17-21-16-22-26)13-18-6-9-23(10-7-18)11-12-28-2/h16-19H,3-15H2,1-2H3/t19-/m0/s1
InChIKeyFWGMOVONTIUKGL-IBGZPJMESA-N
MW392.55 g/mol
LogP0.95
Rot. Bonds10

About N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide

N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 42287954) has the molecular formula C20H36N6O2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID42287954
Molecular FormulaC20H36N6O2
Molecular Weight392.55 g/mol
Exact Mass392.29
IUPAC NameN-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cn1cncn1
InChIInChI=1S/C20H36N6O2/c1-3-24-8-4-5-19(24)14-25(20(27)15-26-17-21-16-22-26)13-18-6-9-23(10-7-18)11-12-28-2/h16-19H,3-15H2,1-2H3/t19-/m0/s1
InChIKeyFWGMOVONTIUKGL-IBGZPJMESA-N
XLogP0.95
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide (CID 42287954) is N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is CCN1CCC[C@H]1CN(CC1CCN(CCOC)CC1)C(=O)Cn1cncn1.
What is the InChIKey of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is FWGMOVONTIUKGL-IBGZPJMESA-N. The full InChI is InChI=1S/C20H36N6O2/c1-3-24-8-4-5-19(24)14-25(20(27)15-26-17-21-16-22-26)13-18-6-9-23(10-7-18)11-12-28-2/h16-19H,3-15H2,1-2H3/t19-/m0/s1.
What are the key properties of N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 392.55 g/mol, XLogP of 0.95, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 42287954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).