2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

C20H28N4O — CID 71914322

IUPAC2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C20H28N4O/c1-16-6-3-4-8-18(16)13-22-20(25)15-24-10-5-7-17(14-24)12-19-21-9-11-23(19)2/h3-4,6,8-9,11,17H,5,7,10,12-15H2,1-2H3,(H,22,25)
InChIKeyJIEORRDGOSTQOS-UHFFFAOYSA-N
MW340.47 g/mol
LogP2.30
Rot. Bonds6

About 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide

2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 71914322) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
PubChem CID71914322
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
SMILESCc1ccccc1CNC(=O)CN1CCCC(Cc2nccn2C)C1
InChIInChI=1S/C20H28N4O/c1-16-6-3-4-8-18(16)13-22-20(25)15-24-10-5-7-17(14-24)12-19-21-9-11-23(19)2/h3-4,6,8-9,11,17H,5,7,10,12-15H2,1-2H3,(H,22,25)
InChIKeyJIEORRDGOSTQOS-UHFFFAOYSA-N
XLogP2.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide (CID 71914322) is 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is Cc1ccccc1CNC(=O)CN1CCCC(Cc2nccn2C)C1.
What is the InChIKey of 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is JIEORRDGOSTQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-16-6-3-4-8-18(16)13-22-20(25)15-24-10-5-7-17(14-24)12-19-21-9-11-23(19)2/h3-4,6,8-9,11,17H,5,7,10,12-15H2,1-2H3,(H,22,25).
What are the key properties of 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide?
2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 340.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 71914322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).