2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide

C19H25N5O2 — CID 124999503

IUPAC2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide
SMILESCC(=O)NCc1cn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)cn1
InChIInChI=1S/C19H25N5O2/c1-14(25)20-10-16-12-24(13-21-16)18-8-4-3-7-17(18)19(26)22-15-6-5-9-23(2)11-15/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,20,25)(H,22,26)/t15-/m1/s1
InChIKeyRPGDXFJTAQDWCD-OAHLLOKOSA-N
MW355.44 g/mol
LogP1.33
Rot. Bonds5

About 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide

2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide (PubChem CID 124999503) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide.

Molecular Properties

Compound Name2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide
PubChem CID124999503
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide
SMILESCC(=O)NCc1cn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)cn1
InChIInChI=1S/C19H25N5O2/c1-14(25)20-10-16-12-24(13-21-16)18-8-4-3-7-17(18)19(26)22-15-6-5-9-23(2)11-15/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,20,25)(H,22,26)/t15-/m1/s1
InChIKeyRPGDXFJTAQDWCD-OAHLLOKOSA-N
XLogP1.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide?
The IUPAC name of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide (CID 124999503) is 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide.
What is the SMILES notation for 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide?
The canonical SMILES for 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide is CC(=O)NCc1cn(-c2ccccc2C(=O)N[C@@H]2CCCN(C)C2)cn1.
What is the InChIKey of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide?
The InChIKey is RPGDXFJTAQDWCD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-14(25)20-10-16-12-24(13-21-16)18-8-4-3-7-17(18)19(26)22-15-6-5-9-23(2)11-15/h3-4,7-8,12-13,15H,5-6,9-11H2,1-2H3,(H,20,25)(H,22,26)/t15-/m1/s1.
What are the key properties of 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide?
2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide has a molecular weight of 355.44 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(acetamidomethyl)imidazol-1-yl]-N-[(3R)-1-methylpiperidin-3-yl]benzamide is sourced from PubChem (CID 124999503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).