2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide

C22H24N4O3 — CID 72872009

IUPAC2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(c4nccn4CC(N)=O)CC3)cc2)o1
InChIInChI=1S/C22H24N4O3/c1-15-2-7-19(29-15)16-3-5-18(6-4-16)22(28)25-11-8-17(9-12-25)21-24-10-13-26(21)14-20(23)27/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,23,27)
InChIKeyALXPIMWLMISNAA-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.96
Rot. Bonds5

About 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide

2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide (PubChem CID 72872009) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide
PubChem CID72872009
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide
SMILESCc1ccc(-c2ccc(C(=O)N3CCC(c4nccn4CC(N)=O)CC3)cc2)o1
InChIInChI=1S/C22H24N4O3/c1-15-2-7-19(29-15)16-3-5-18(6-4-16)22(28)25-11-8-17(9-12-25)21-24-10-13-26(21)14-20(23)27/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,23,27)
InChIKeyALXPIMWLMISNAA-UHFFFAOYSA-N
XLogP2.96
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[1-(3-pyrrol-1-ylpropyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72913616
2-[2-[1-(4H-thieno[3,2-b]pyrrole-5-carbonyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72855517
2-[2-[1-(2-propoxyethyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72891987
[4-(3,5-dimethylpyrazol-1-yl)phenyl]-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 72897232
(3,4-dimethylphenyl)-[4-[1-(pyridin-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 72892381
[4-(5-methylfuran-2-yl)phenyl]-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 118793305
2-[2-[1-(4-chloro-2-methylbenzoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 72878743
2-[2-[1-[2-(4-acetylphenoxy)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72939253
[4-[4-[1-[2-(2-ethoxyethoxy)ethyl]imidazol-2-yl]piperidine-1-carbonyl]phenyl]-phenylmethanone
CID 3867153
2-[2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-4-yl]imidazol-1-yl]acetamide
CID 72938584
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282540
1-[3-[4-(1-ethylimidazol-2-yl)piperidine-1-carbonyl]phenyl]ethanone
CID 72932090

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide (CID 72872009) is 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide is Cc1ccc(-c2ccc(C(=O)N3CCC(c4nccn4CC(N)=O)CC3)cc2)o1.
What is the InChIKey of 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
The InChIKey is ALXPIMWLMISNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-2-7-19(29-15)16-3-5-18(6-4-16)22(28)25-11-8-17(9-12-25)21-24-10-13-26(21)14-20(23)27/h2-7,10,13,17H,8-9,11-12,14H2,1H3,(H2,23,27).
What are the key properties of 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide?
2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[4-(5-methylfuran-2-yl)benzoyl]piperidin-4-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72872009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).