1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride

C21H33Cl2N5O — CID 119837429

IUPAC1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H31N5O.2ClH/c1-17(18-5-7-22-8-6-18)14-21(27)25-12-10-24(11-13-25)15-19-16-26-9-3-2-4-20(26)23-19;;/h2-4,9,16-18,22H,5-8,10-15H2,1H3;2*1H
InChIKeyXKXBYDCTCYPDDQ-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.85
Rot. Bonds5

About 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride

1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride (PubChem CID 119837429) has the molecular formula C21H33Cl2N5O and a molecular weight of 442.44 g/mol. Its IUPAC name is 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
PubChem CID119837429
Molecular FormulaC21H33Cl2N5O
Molecular Weight442.44 g/mol
Exact Mass441.21
IUPAC Name1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
SMILESCC(CC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C21H31N5O.2ClH/c1-17(18-5-7-22-8-6-18)14-21(27)25-12-10-24(11-13-25)15-19-16-26-9-3-2-4-20(26)23-19;;/h2-4,9,16-18,22H,5-8,10-15H2,1H3;2*1H
InChIKeyXKXBYDCTCYPDDQ-UHFFFAOYSA-N
XLogP2.85
TPSA52.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-pyrrolidin-2-ylethanone;dihydrochloride
CID 119837441
1-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119834691
2-(4-fluorophenyl)-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 134056686
[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone
CID 119837434
3-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylbutan-1-one
CID 120502657
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one;dihydrochloride
CID 119837381
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 94468397
2-amino-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-2-methylpropan-1-one;dihydrochloride
CID 119837375
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 71944000
(1-aminocyclopropyl)-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119837365
2-ethoxy-1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 51080863
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-4-(methylamino)butan-1-one
CID 119837382

Frequently Asked Questions

What is the IUPAC name of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
The IUPAC name of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride (CID 119837429) is 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride.
What is the SMILES notation for 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
The canonical SMILES for 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride is CC(CC(=O)N1CCN(Cc2cn3ccccc3n2)CC1)C1CCNCC1.Cl.Cl.
What is the InChIKey of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
The InChIKey is XKXBYDCTCYPDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O.2ClH/c1-17(18-5-7-22-8-6-18)14-21(27)25-12-10-24(11-13-25)15-19-16-26-9-3-2-4-20(26)23-19;;/h2-4,9,16-18,22H,5-8,10-15H2,1H3;2*1H.
What are the key properties of 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride?
1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride has a molecular weight of 442.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride is sourced from PubChem (CID 119837429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).