2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide

C20H26N4O2 — CID 97275035

IUPAC2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCC(C)(C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-20(2,16-8-4-3-5-9-16)19(26)24-11-6-7-15(13-24)18-22-10-12-23(18)14-17(21)25/h3-5,8-10,12,15H,6-7,11,13-14H2,1-2H3,(H2,21,25)/t15-/m0/s1
InChIKeyQCSLDUCRPACWAH-HNNXBMFYSA-N
MW354.45 g/mol
LogP2.05
Rot. Bonds5

About 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 97275035) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID97275035
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC Name2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide
SMILESCC(C)(C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1)c1ccccc1
InChIInChI=1S/C20H26N4O2/c1-20(2,16-8-4-3-5-9-16)19(26)24-11-6-7-15(13-24)18-22-10-12-23(18)14-17(21)25/h3-5,8-10,12,15H,6-7,11,13-14H2,1-2H3,(H2,21,25)/t15-/m0/s1
InChIKeyQCSLDUCRPACWAH-HNNXBMFYSA-N
XLogP2.05
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide (CID 97275035) is 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide is CC(C)(C(=O)N1CCC[C@H](c2nccn2CC(N)=O)C1)c1ccccc1.
What is the InChIKey of 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is QCSLDUCRPACWAH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-20(2,16-8-4-3-5-9-16)19(26)24-11-6-7-15(13-24)18-22-10-12-23(18)14-17(21)25/h3-5,8-10,12,15H,6-7,11,13-14H2,1-2H3,(H2,21,25)/t15-/m0/s1.
What are the key properties of 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-1-(2-methyl-2-phenylpropanoyl)piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 97275035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).