(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione

C20H20N4O2 — CID 165419607

IUPAC(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2cn3ccccc3n2)[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H20N4O2/c1-22-14-19(25)24(13-16-12-23-10-6-5-9-18(23)21-16)17(20(22)26)11-15-7-3-2-4-8-15/h2-10,12,17H,11,13-14H2,1H3/t17-/m0/s1
InChIKeyRGRAAGYTWFYJGM-KRWDZBQOSA-N
MW348.41 g/mol
LogP1.75
Rot. Bonds4

About (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione

(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione (PubChem CID 165419607) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
PubChem CID165419607
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione
SMILESCN1CC(=O)N(Cc2cn3ccccc3n2)[C@@H](Cc2ccccc2)C1=O
InChIInChI=1S/C20H20N4O2/c1-22-14-19(25)24(13-16-12-23-10-6-5-9-18(23)21-16)17(20(22)26)11-15-7-3-2-4-8-15/h2-10,12,17H,11,13-14H2,1H3/t17-/m0/s1
InChIKeyRGRAAGYTWFYJGM-KRWDZBQOSA-N
XLogP1.75
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(2-methoxyethyl)piperazine-2,5-dione
CID 165420341
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911
(3R)-3-benzyl-1-(2-methoxyethyl)-4-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazine-2,5-dione
CID 165426751
(3S)-1-[(3-fluorophenyl)methyl]-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-methylpiperazine-2,5-dione
CID 165428167
(3R)-3-benzyl-1-methyl-4-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-2,5-dione
CID 165417477
(3S)-3-benzyl-1-methyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-2,5-dione
CID 164690480
(3S)-3-benzyl-4-[(3-methoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165422175
(3S)-3-benzyl-4-[(3,4-dimethoxy-2-pyridinyl)methyl]-1-methylpiperazine-2,5-dione
CID 165427693
(3S)-3-methyl-4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-1-(2-phenylethyl)piperazine-2,5-dione
CID 164691531
(3S)-3-benzyl-4-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-1-methylpiperazine-2,5-dione
CID 165420025
(3S)-3-benzyl-4-[2-(2-ethoxyphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165422735
(3R)-3-benzyl-4-[2-(2-ethylphenoxy)ethyl]-1-methylpiperazine-2,5-dione
CID 165423395

Frequently Asked Questions

What is the IUPAC name of (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione?
The IUPAC name of (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione (CID 165419607) is (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione.
What is the SMILES notation for (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione?
The canonical SMILES for (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione is CN1CC(=O)N(Cc2cn3ccccc3n2)[C@@H](Cc2ccccc2)C1=O.
What is the InChIKey of (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione?
The InChIKey is RGRAAGYTWFYJGM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-22-14-19(25)24(13-16-12-23-10-6-5-9-18(23)21-16)17(20(22)26)11-15-7-3-2-4-8-15/h2-10,12,17H,11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione?
(3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione has a molecular weight of 348.41 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-benzyl-4-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-methylpiperazine-2,5-dione is sourced from PubChem (CID 165419607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).