3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one

C15H21N5O — CID 63606150

IUPAC3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one
SMILESCNCc1c(N2CCNC(=O)C2(C)C)nc2ccccn12
InChIInChI=1S/C15H21N5O/c1-15(2)14(21)17-7-9-20(15)13-11(10-16-3)19-8-5-4-6-12(19)18-13/h4-6,8,16H,7,9-10H2,1-3H3,(H,17,21)
InChIKeyCNTZFEOXJQXFSK-UHFFFAOYSA-N
MW287.37 g/mol
LogP0.77
Rot. Bonds3

About 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one

3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one (PubChem CID 63606150) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one
PubChem CID63606150
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one
SMILESCNCc1c(N2CCNC(=O)C2(C)C)nc2ccccn12
InChIInChI=1S/C15H21N5O/c1-15(2)14(21)17-7-9-20(15)13-11(10-16-3)19-8-5-4-6-12(19)18-13/h4-6,8,16H,7,9-10H2,1-3H3,(H,17,21)
InChIKeyCNTZFEOXJQXFSK-UHFFFAOYSA-N
XLogP0.77
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one (CID 63606150) is 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one is CNCc1c(N2CCNC(=O)C2(C)C)nc2ccccn12.
What is the InChIKey of 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one?
The InChIKey is CNTZFEOXJQXFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-15(2)14(21)17-7-9-20(15)13-11(10-16-3)19-8-5-4-6-12(19)18-13/h4-6,8,16H,7,9-10H2,1-3H3,(H,17,21).
What are the key properties of 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one?
3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one has a molecular weight of 287.37 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]piperazin-2-one is sourced from PubChem (CID 63606150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).