1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione

C14H16N4O2 — CID 64879027

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(Cc2cn3ccccc3n2)C1=O
InChIInChI=1S/C14H16N4O2/c1-14(2)13(20)18(9-12(19)16-14)8-10-7-17-6-4-3-5-11(17)15-10/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyVMIKWRFQRBZHTA-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.57
Rot. Bonds2

About 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64879027) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64879027
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCC1(C)NC(=O)CN(Cc2cn3ccccc3n2)C1=O
InChIInChI=1S/C14H16N4O2/c1-14(2)13(20)18(9-12(19)16-14)8-10-7-17-6-4-3-5-11(17)15-10/h3-7H,8-9H2,1-2H3,(H,16,19)
InChIKeyVMIKWRFQRBZHTA-UHFFFAOYSA-N
XLogP0.57
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64878983
3,3-dimethyl-1-[(1-methylpyrazol-3-yl)methyl]piperazine-2,5-dione
CID 82872174
1-[(6-methoxy-2-pyridinyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 64879597
4-(aminomethyl)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-one
CID 168660388
8-tert-butyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17391732
1-[(4-iodophenyl)methyl]-3,3-dimethylpiperazine-2,5-dione
CID 65491575
(5R,6S)-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40971920
(5S)-5-benzyl-3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 25345743
2-[(5-ethyl-2,2,5-trimethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64848518
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
CID 107408411
5-(imidazo[1,2-a]pyridin-2-ylmethyl)-1,2,3,4-tetrahydro-1,5-benzodiazepine
CID 115311351
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 17392520

Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione (CID 64879027) is 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione is CC1(C)NC(=O)CN(Cc2cn3ccccc3n2)C1=O.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is VMIKWRFQRBZHTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-14(2)13(20)18(9-12(19)16-14)8-10-7-17-6-4-3-5-11(17)15-10/h3-7H,8-9H2,1-2H3,(H,16,19).
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione?
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 272.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64879027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).