1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

C22H26N4O — CID 84565909

IUPAC1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCc1nc2ccccn2c1CCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-18-20(26-12-6-5-9-21(26)23-18)10-11-22(27)25-15-13-24(14-16-25)17-19-7-3-2-4-8-19/h2-9,12H,10-11,13-17H2,1H3
InChIKeyBCKDXMOSJUUKAK-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one

1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (PubChem CID 84565909) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
PubChem CID84565909
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
SMILESCc1nc2ccccn2c1CCC(=O)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-18-20(26-12-6-5-9-21(26)23-18)10-11-22(27)25-15-13-24(14-16-25)17-19-7-3-2-4-8-19/h2-9,12H,10-11,13-17H2,1H3
InChIKeyBCKDXMOSJUUKAK-UHFFFAOYSA-N
XLogP2.92
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 84561418
1-[4-(2-methoxyethyl)piperazin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 110090586
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
1-(4-benzylpiperazin-1-yl)-3-nitropropan-1-one
CID 56666107
1-(4-benzylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343141
3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-2-carboxylic acid
CID 39121604
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(4-pyrrolidin-1-ylbutyl)propanamide
CID 84565906
1-(4-benzylpiperazin-1-yl)-2-(2,4-dimethyl-1,3-oxazol-5-yl)ethanone
CID 110680052
1-[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-3-(2,4-dimethylphenyl)propan-1-one
CID 112806577
1-(4-benzylpiperazin-1-yl)-3-([1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)propan-1-one
CID 110385656
1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenyl)propan-1-one
CID 100600205

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The IUPAC name of 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one (CID 84565909) is 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The canonical SMILES for 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is Cc1nc2ccccn2c1CCC(=O)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
The InChIKey is BCKDXMOSJUUKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-18-20(26-12-6-5-9-21(26)23-18)10-11-22(27)25-15-13-24(14-16-25)17-19-7-3-2-4-8-19/h2-9,12H,10-11,13-17H2,1H3.
What are the key properties of 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one?
1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one has a molecular weight of 362.48 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperazin-1-yl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 84565909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).