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

C22H40N6O2 — CID 45210090

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCCn1cncn1
InChIInChI=1S/C22H40N6O2/c1-3-26-10-4-6-21(26)17-27(22(29)7-5-11-28-19-23-18-24-28)16-20-8-12-25(13-9-20)14-15-30-2/h18-21H,3-17H2,1-2H3
InChIKeyQIEHICOYSLJOML-UHFFFAOYSA-N
MW420.60 g/mol
LogP1.73
Rot. Bonds12

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 45210090) has the molecular formula C22H40N6O2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID45210090
Molecular FormulaC22H40N6O2
Molecular Weight420.60 g/mol
Exact Mass420.32
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESCCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCCn1cncn1
InChIInChI=1S/C22H40N6O2/c1-3-26-10-4-6-21(26)17-27(22(29)7-5-11-28-19-23-18-24-28)16-20-8-12-25(13-9-20)14-15-30-2/h18-21H,3-17H2,1-2H3
InChIKeyQIEHICOYSLJOML-UHFFFAOYSA-N
XLogP1.73
TPSA66.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2-methoxyethyl)-2-[3-(1H-1,2,4-triazol-1-yl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 72885864
4-(1-pyrrolidinylcarbonyl)-1-[4-(1H-1,2,4-triazol-1-yl)butanoyl]piperidine
CID 70734448
4-{1-[2-(1H-1,2,4-triazol-1-yl)ethyl]-L-prolyl}morpholine
CID 91832547
N-[(1-ethyl-2-pyrrolidinyl)methyl]-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}-2-(1H-1,2,4-triazol-1-yl)acetamide
CID 45180208
1-{1-[2-(1H-1,2,4-triazol-1-yl)ethyl]piperidin-3-yl}pyrrolidin-2-one
CID 56875433
1-[(2S)-1-acetyl-2-(1,2,4-triazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-5-yl]-2-methoxyethanone
CID 134690214
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 25296504
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 25296508
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 26399973
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(tetrazol-1-yl)acetamide
CID 26399976
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42287952
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

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide (CID 45210090) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide is CCN1CCCC1CN(CC1CCN(CCOC)CC1)C(=O)CCCn1cncn1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is QIEHICOYSLJOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N6O2/c1-3-26-10-4-6-21(26)17-27(22(29)7-5-11-28-19-23-18-24-28)16-20-8-12-25(13-9-20)14-15-30-2/h18-21H,3-17H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 420.60 g/mol, XLogP of 1.73, 12 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]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 45210090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).