N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C21H38N6O2 — CID 45241998

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCn1cncn1
InChIInChI=1S/C21H38N6O2/c1-3-25-9-4-5-20(25)16-26(21(28)8-12-27-18-22-17-23-27)15-19-6-10-24(11-7-19)13-14-29-2/h17-20H,3-16H2,1-2H3
InChIKeyVZMQDFPKKDSVAK-UHFFFAOYSA-N
MW406.58 g/mol
LogP1.34
Rot. Bonds11

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 45241998) has the molecular formula C21H38N6O2 and a molecular weight of 406.58 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID45241998
Molecular FormulaC21H38N6O2
Molecular Weight406.58 g/mol
Exact Mass406.31
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCn1cncn1
InChIInChI=1S/C21H38N6O2/c1-3-25-9-4-5-20(25)16-26(21(28)8-12-27-18-22-17-23-27)15-19-6-10-24(11-7-19)13-14-29-2/h17-20H,3-16H2,1-2H3
InChIKeyVZMQDFPKKDSVAK-UHFFFAOYSA-N
XLogP1.34
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.58
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 45241998) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCn1cncn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is VZMQDFPKKDSVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N6O2/c1-3-25-9-4-5-20(25)16-26(21(28)8-12-27-18-22-17-23-27)15-19-6-10-24(11-7-19)13-14-29-2/h17-20H,3-16H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 406.58 g/mol, XLogP of 1.34, 11 rotatable bonds, 0 hydrogen bond donors, and 7 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]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 45241998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).