2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide

C19H24N4O3 — CID 72898265

IUPAC2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C19H24N4O3/c20-17(25)12-23-9-7-21-19(23)16-2-1-8-22(11-16)18(26)10-14-3-5-15(13-24)6-4-14/h3-7,9,16,24H,1-2,8,10-13H2,(H2,20,25)
InChIKeyIXYIDUHMAAGPEM-UHFFFAOYSA-N
MW356.43 g/mol
LogP0.81
Rot. Bonds6

About 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide

2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide (PubChem CID 72898265) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
PubChem CID72898265
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1
InChIInChI=1S/C19H24N4O3/c20-17(25)12-23-9-7-21-19(23)16-2-1-8-22(11-16)18(26)10-14-3-5-15(13-24)6-4-14/h3-7,9,16,24H,1-2,8,10-13H2,(H2,20,25)
InChIKeyIXYIDUHMAAGPEM-UHFFFAOYSA-N
XLogP0.81
TPSA101.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide (CID 72898265) is 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide is NC(=O)Cn1ccnc1C1CCCN(C(=O)Cc2ccc(CO)cc2)C1.
What is the InChIKey of 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
The InChIKey is IXYIDUHMAAGPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c20-17(25)12-23-9-7-21-19(23)16-2-1-8-22(11-16)18(26)10-14-3-5-15(13-24)6-4-14/h3-7,9,16,24H,1-2,8,10-13H2,(H2,20,25).
What are the key properties of 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide?
2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide has a molecular weight of 356.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[2-[4-(hydroxymethyl)phenyl]acetyl]piperidin-3-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 72898265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).