[3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

C20H28N4O3 — CID 120879936

IUPAC[3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCNCC2c2nccn2C)ccc1OCC(C)C
InChIInChI=1S/C20H28N4O3/c1-14(2)13-27-17-6-5-15(11-18(17)26-4)20(25)24-10-7-21-12-16(24)19-22-8-9-23(19)3/h5-6,8-9,11,14,16,21H,7,10,12-13H2,1-4H3
InChIKeyROEJCSLDSFZLSH-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.25
Rot. Bonds6

About [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone

[3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (PubChem CID 120879936) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
PubChem CID120879936
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name[3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
SMILESCOc1cc(C(=O)N2CCNCC2c2nccn2C)ccc1OCC(C)C
InChIInChI=1S/C20H28N4O3/c1-14(2)13-27-17-6-5-15(11-18(17)26-4)20(25)24-10-7-21-12-16(24)19-22-8-9-23(19)3/h5-6,8-9,11,14,16,21H,7,10,12-13H2,1-4H3
InChIKeyROEJCSLDSFZLSH-UHFFFAOYSA-N
XLogP2.25
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-methoxy-5-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]imidazolidin-2-one;hydrochloride
CID 120877283
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880182
(3,4-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880181
(2-fluoro-4,5-dimethoxyphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120879795
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
2,3-dihydro-1H-inden-5-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120880409
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide
CID 120879890
(3,5-dichlorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120880230
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 120877871
2-(2-methoxy-4-prop-2-enylphenoxy)-1-[2-(1-methylimidazol-2-yl)piperazin-1-yl]ethanone
CID 120877878
2-methyl-N-[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]propanamide;hydrochloride
CID 120879889
N,2-dimethyl-N-[[4-[2-(1-methylimidazol-2-yl)piperazine-1-carbonyl]phenyl]methyl]propanamide
CID 120880286

Frequently Asked Questions

What is the IUPAC name of [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone (CID 120879936) is [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is COc1cc(C(=O)N2CCNCC2c2nccn2C)ccc1OCC(C)C.
What is the InChIKey of [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
The InChIKey is ROEJCSLDSFZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-14(2)13-27-17-6-5-15(11-18(17)26-4)20(25)24-10-7-21-12-16(24)19-22-8-9-23(19)3/h5-6,8-9,11,14,16,21H,7,10,12-13H2,1-4H3.
What are the key properties of [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone?
[3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone has a molecular weight of 372.47 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methoxy-4-(2-methylpropoxy)phenyl]-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 120879936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).