1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone

C23H33N5O — CID 90533380

IUPAC1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCn2ccnc2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H33N5O/c29-23(28-9-6-22(7-10-28)18-21-4-2-1-3-5-21)19-26-15-12-25(13-16-26)14-17-27-11-8-24-20-27/h1-5,8,11,20,22H,6-7,9-10,12-19H2
InChIKeyBODGBICYIUVRLJ-UHFFFAOYSA-N
MW395.55 g/mol
LogP1.98
Rot. Bonds7

About 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone

1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone (PubChem CID 90533380) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
PubChem CID90533380
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCn2ccnc2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C23H33N5O/c29-23(28-9-6-22(7-10-28)18-21-4-2-1-3-5-21)19-26-15-12-25(13-16-26)14-17-27-11-8-24-20-27/h1-5,8,11,20,22H,6-7,9-10,12-19H2
InChIKeyBODGBICYIUVRLJ-UHFFFAOYSA-N
XLogP1.98
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560742
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 71788587
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
1-(4-benzylpiperidin-1-yl)-2-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone
CID 8004165
2-morpholin-4-yl-1-[4-(pyridin-4-ylmethyl)piperidin-1-yl]ethanone
CID 110102794
4-benzyl-N-ethyl-N'-(2-imidazol-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111152407
5-[[1-(2-imidazol-1-ylacetyl)piperidin-4-yl]methyl]-2-methyl-4-phenyl-1,2,4-triazol-3-one
CID 56710639
1-(4-benzylpiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 653752
1-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]-2-pyrazol-1-ylethanone
CID 90533365

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone (CID 90533380) is 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone is O=C(CN1CCN(CCn2ccnc2)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone?
The InChIKey is BODGBICYIUVRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c29-23(28-9-6-22(7-10-28)18-21-4-2-1-3-5-21)19-26-15-12-25(13-16-26)14-17-27-11-8-24-20-27/h1-5,8,11,20,22H,6-7,9-10,12-19H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone has a molecular weight of 395.55 g/mol, XLogP of 1.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 90533380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).