2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

C20H26N4O2 — CID 97282540

IUPAC2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1ccc(CCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-4-6-16(7-5-15)8-9-19(26)23-11-2-3-17(13-23)20-22-10-12-24(20)14-18(21)25/h4-7,10,12,17H,2-3,8-9,11,13-14H2,1H3,(H2,21,25)/t17-/m0/s1
InChIKeyIVVKMWMSSYPBEJ-KRWDZBQOSA-N
MW354.45 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97282540) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97282540
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCc1ccc(CCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1
InChIInChI=1S/C20H26N4O2/c1-15-4-6-16(7-5-15)8-9-19(26)23-11-2-3-17(13-23)20-22-10-12-24(20)14-18(21)25/h4-7,10,12,17H,2-3,8-9,11,13-14H2,1H3,(H2,21,25)/t17-/m0/s1
InChIKeyIVVKMWMSSYPBEJ-KRWDZBQOSA-N
XLogP2.02
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-[(3S)-1-[3-[4-(dimethylamino)phenyl]propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276868
2-[2-[(3R)-1-[4-(4-chlorophenyl)butanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97276039
2-[2-[(3R)-1-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97277457
2-[2-[1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867056
2-[2-[(3R)-1-(2-cyclopentylacetyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97283989
2-[2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269942
2-[2-[(3S)-1-[2-(3-fluoro-4-hydroxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97278954
1-[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-[4-(dimethylamino)phenyl]propan-1-one
CID 72903798
2-[2-[(3R)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282168
2-[2-[1-[2-(4-acetylphenoxy)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72939253
2-[2-[(3S)-1-[2-(2-methoxyphenyl)acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 97282167
2-[2-[1-[(2,4-dimethylphenyl)methyl]piperidin-3-yl]imidazol-1-yl]acetamide
CID 72867328

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 97282540) is 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is Cc1ccc(CCC(=O)N2CCC[C@H](c3nccn3CC(N)=O)C2)cc1.
What is the InChIKey of 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is IVVKMWMSSYPBEJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-4-6-16(7-5-15)8-9-19(26)23-11-2-3-17(13-23)20-22-10-12-24(20)14-18(21)25/h4-7,10,12,17H,2-3,8-9,11,13-14H2,1H3,(H2,21,25)/t17-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-[3-(4-methylphenyl)propanoyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97282540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).