N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride

C21H29ClN4O4 — CID 163328701

IUPACN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride
SMILESCOc1ccc(-c2cnc(NC(=O)COCC(=O)N3CCC(C)CC3)n2C)cc1.Cl
InChIInChI=1S/C21H28N4O4.ClH/c1-15-8-10-25(11-9-15)20(27)14-29-13-19(26)23-21-22-12-18(24(21)2)16-4-6-17(28-3)7-5-16;/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,22,23,26);1H
InChIKeyIMKDPRBSHOMMAY-UHFFFAOYSA-N
MW436.94 g/mol
LogP2.73
Rot. Bonds7

About N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride

N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride (PubChem CID 163328701) has the molecular formula C21H29ClN4O4 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride.

Molecular Properties

Compound NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride
PubChem CID163328701
Molecular FormulaC21H29ClN4O4
Molecular Weight436.94 g/mol
Exact Mass436.19
IUPAC NameN-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride
SMILESCOc1ccc(-c2cnc(NC(=O)COCC(=O)N3CCC(C)CC3)n2C)cc1.Cl
InChIInChI=1S/C21H28N4O4.ClH/c1-15-8-10-25(11-9-15)20(27)14-29-13-19(26)23-21-22-12-18(24(21)2)16-4-6-17(28-3)7-5-16;/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,22,23,26);1H
InChIKeyIMKDPRBSHOMMAY-UHFFFAOYSA-N
XLogP2.73
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-methyl-5-phenylimidazol-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethoxy]acetamide
CID 4280760
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]benzamide
CID 1096852
N-[5-(4-ethoxyphenyl)-1-methylimidazol-2-yl]propanamide
CID 3917768
N-[1-methyl-5-(4-methylphenyl)imidazol-2-yl]-4-oxo-4-piperidin-1-ylbutanamide
CID 647262
2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)ethanone
CID 2685290
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
2-[(2R)-2-[6-(4-methoxyphenyl)-2-pyridinyl]morpholin-4-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 125026040
N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanylacetamide
CID 4122784
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-4-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 136545418
1-(4-aminopiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 82042591
[6-(4-methoxyphenyl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58211403
5-(4-bromophenyl)-N-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-amine
CID 4000715

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride?
The IUPAC name of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride (CID 163328701) is N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride.
What is the SMILES notation for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride?
The canonical SMILES for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride is COc1ccc(-c2cnc(NC(=O)COCC(=O)N3CCC(C)CC3)n2C)cc1.Cl.
What is the InChIKey of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride?
The InChIKey is IMKDPRBSHOMMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O4.ClH/c1-15-8-10-25(11-9-15)20(27)14-29-13-19(26)23-21-22-12-18(24(21)2)16-4-6-17(28-3)7-5-16;/h4-7,12,15H,8-11,13-14H2,1-3H3,(H,22,23,26);1H.
What are the key properties of N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride?
N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride has a molecular weight of 436.94 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphenyl)-1-methylimidazol-2-yl]-2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]acetamide;hydrochloride is sourced from PubChem (CID 163328701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).