1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone

C18H24N4O2 — CID 86285845

IUPAC1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCn1ccnc1CN1CCN(C(=O)COCc2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-20-8-7-19-17(20)13-21-9-11-22(12-10-21)18(23)15-24-14-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeySIFHMJLRLYQIRK-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.28
Rot. Bonds6

About 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 86285845) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID86285845
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCn1ccnc1CN1CCN(C(=O)COCc2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c1-20-8-7-19-17(20)13-21-9-11-22(12-10-21)18(23)15-24-14-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3
InChIKeySIFHMJLRLYQIRK-UHFFFAOYSA-N
XLogP1.28
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenylmethoxy-1-[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 70721631
1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-(oxan-2-ylmethoxy)ethanone
CID 91840823
N-[(3S)-1-benzylpyrrolidin-3-yl]-4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carboxamide
CID 122569694
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122343519
2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 56885339
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
1-[2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-oxoethyl]quinolin-4-one
CID 90649454
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]ethanone
CID 97154142
1-(4-hydroxypiperidin-1-yl)-2-phenylmethoxyethanone
CID 43416001
5-[4-[(1-methylimidazol-2-yl)methyl]piperazine-1-carbonyl]-1-(3-phenylpropyl)piperidin-2-one
CID 45215310
methyl 4-[(1-benzylimidazol-2-yl)methyl]piperazine-1-carboxylate
CID 78900342

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 86285845) is 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone is Cn1ccnc1CN1CCN(C(=O)COCc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is SIFHMJLRLYQIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-20-8-7-19-17(20)13-21-9-11-22(12-10-21)18(23)15-24-14-16-5-3-2-4-6-16/h2-8H,9-15H2,1H3.
What are the key properties of 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 328.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 86285845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).