N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide

C22H32N4O3 — CID 26394300

IUPACN-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2nccn2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N4O3/c1-28-16-12-24-22(27)8-3-18-9-13-25(14-10-18)17-21-23-11-15-26(21)19-4-6-20(29-2)7-5-19/h4-7,11,15,18H,3,8-10,12-14,16-17H2,1-2H3,(H,24,27)
InChIKeyYKMGHAUFMHVWGJ-UHFFFAOYSA-N
MW400.52 g/mol
LogP2.64
Rot. Bonds10

About N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide

N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide (PubChem CID 26394300) has the molecular formula C22H32N4O3 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
PubChem CID26394300
Molecular FormulaC22H32N4O3
Molecular Weight400.52 g/mol
Exact Mass400.25
IUPAC NameN-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide
SMILESCOCCNC(=O)CCC1CCN(Cc2nccn2-c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H32N4O3/c1-28-16-12-24-22(27)8-3-18-9-13-25(14-10-18)17-21-23-11-15-26(21)19-4-6-20(29-2)7-5-19/h4-7,11,15,18H,3,8-10,12-14,16-17H2,1-2H3,(H,24,27)
InChIKeyYKMGHAUFMHVWGJ-UHFFFAOYSA-N
XLogP2.64
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-3-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide
CID 42532364
3-[1-[(4-acetamidophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25381997
3-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 56704613
N-(2-methoxyethyl)-3-[1-[4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 23723475
N-(2-methoxyethyl)-3-[1-[(2S)-4-(4-methoxyphenyl)butan-2-yl]piperidin-4-yl]propanamide
CID 42557895
N-[2-(4-methoxyphenoxy)ethyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
CID 11627691
3-[1-[(2,4-dimethyl-6-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 25448651
(3R,4R)-4-fluoro-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidin-3-ol
CID 131948750
N-(2-methoxyethyl)-3-[1-[[5-(oxan-2-yl)thiophen-2-yl]methyl]piperidin-4-yl]propanamide
CID 45216292
3-[1-[[4-chloro-2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
CID 42513054
(3S)-3-amino-1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]pyrrolidine-3-carboxylic acid
CID 95220816
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide (CID 26394300) is N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide is COCCNC(=O)CCC1CCN(Cc2nccn2-c2ccc(OC)cc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide?
The InChIKey is YKMGHAUFMHVWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3/c1-28-16-12-24-22(27)8-3-18-9-13-25(14-10-18)17-21-23-11-15-26(21)19-4-6-20(29-2)7-5-19/h4-7,11,15,18H,3,8-10,12-14,16-17H2,1-2H3,(H,24,27).
What are the key properties of N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide?
N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide has a molecular weight of 400.52 g/mol, XLogP of 2.64, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-[1-[[1-(4-methoxyphenyl)imidazol-2-yl]methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 26394300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).