1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one

C19H26N4O — CID 71788587

IUPAC1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C19H26N4O/c24-19(8-4-7-18-5-2-1-3-6-18)23-15-13-21(14-16-23)11-12-22-10-9-20-17-22/h1-3,5-6,9-10,17H,4,7-8,11-16H2
InChIKeyDVSNSPLBRKHNSS-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.05
Rot. Bonds7

About 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one

1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one (PubChem CID 71788587) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
PubChem CID71788587
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCN(CCn2ccnc2)CC1
InChIInChI=1S/C19H26N4O/c24-19(8-4-7-18-5-2-1-3-6-18)23-15-13-21(14-16-23)11-12-22-10-9-20-17-22/h1-3,5-6,9-10,17H,4,7-8,11-16H2
InChIKeyDVSNSPLBRKHNSS-UHFFFAOYSA-N
XLogP2.05
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-4-imidazol-1-ylbutan-1-one
CID 86848942
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 60539533
1-(8-phenyloctyl)imidazole
CID 102394184
1-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]-3-(1,2,4-triazol-4-yl)propan-1-one
CID 70779237
1-[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 137341935
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365
(2-fluorophenyl)-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]methanone
CID 90533244
4-phenyl-1-(4-prop-2-enylpiperazin-1-yl)butan-1-one
CID 6468754
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 71788571
1-benzylsulfonyl-4-(2-imidazol-1-ylethyl)piperazine
CID 90533564
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one?
The IUPAC name of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one (CID 71788587) is 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one.
What is the SMILES notation for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one?
The canonical SMILES for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCN(CCn2ccnc2)CC1.
What is the InChIKey of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one?
The InChIKey is DVSNSPLBRKHNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c24-19(8-4-7-18-5-2-1-3-6-18)23-15-13-21(14-16-23)11-12-22-10-9-20-17-22/h1-3,5-6,9-10,17H,4,7-8,11-16H2.
What are the key properties of 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one?
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one has a molecular weight of 326.44 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one is sourced from PubChem (CID 71788587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).