3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride

C15H26ClN5O2 — CID 120870506

IUPAC3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCC(=O)N1CCOCC1
InChIInChI=1S/C15H25N5O2.ClH/c1-18-6-4-17-15(18)13-12-16-3-7-19(13)5-2-14(21)20-8-10-22-11-9-20;/h4,6,13,16H,2-3,5,7-12H2,1H3;1H
InChIKeyLDQGSJBNHWJSTN-UHFFFAOYSA-N
MW343.86 g/mol
LogP0.04
Rot. Bonds4

About 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride

3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride (PubChem CID 120870506) has the molecular formula C15H26ClN5O2 and a molecular weight of 343.86 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
PubChem CID120870506
Molecular FormulaC15H26ClN5O2
Molecular Weight343.86 g/mol
Exact Mass343.18
IUPAC Name3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1CCC(=O)N1CCOCC1
InChIInChI=1S/C15H25N5O2.ClH/c1-18-6-4-17-15(18)13-12-16-3-7-19(13)5-2-14(21)20-8-10-22-11-9-20;/h4,6,13,16H,2-3,5,7-12H2,1H3;1H
InChIKeyLDQGSJBNHWJSTN-UHFFFAOYSA-N
XLogP0.04
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 120871068
4-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetyl]piperazin-2-one
CID 120871171
N-(2,6-dichlorophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120871195
N-ethyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120967367
N-cyclopentyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide;hydrochloride
CID 120871110
N-(4-bromophenyl)-3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]propanamide
CID 120870835
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone;hydrochloride
CID 120871104
1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(oxolan-2-yl)ethanone;hydrochloride
CID 120880679
5-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-1,3-oxazole;dihydrochloride
CID 120870642
N-[2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethyl]ethanesulfonamide;hydrochloride
CID 120871028
2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-N-propylacetamide
CID 120870905
N-cycloheptyl-2-[2-(1-methylimidazol-2-yl)piperazin-1-yl]acetamide
CID 120870391

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride (CID 120870506) is 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride is Cl.Cn1ccnc1C1CNCCN1CCC(=O)N1CCOCC1.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
The InChIKey is LDQGSJBNHWJSTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2.ClH/c1-18-6-4-17-15(18)13-12-16-3-7-19(13)5-2-14(21)20-8-10-22-11-9-20;/h4,6,13,16H,2-3,5,7-12H2,1H3;1H.
What are the key properties of 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride?
3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 0.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120870506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).