1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

C29H37N5O — CID 90560742

IUPAC1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCn2ccnc2-c2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H37N5O/c35-28(33-14-11-26(12-15-33)23-25-7-3-1-4-8-25)24-32-19-17-31(18-20-32)21-22-34-16-13-30-29(34)27-9-5-2-6-10-27/h1-10,13,16,26H,11-12,14-15,17-24H2
InChIKeyQIZPNXUPRHFMOX-UHFFFAOYSA-N
MW471.65 g/mol
LogP3.65
Rot. Bonds8

About 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone

1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 90560742) has the molecular formula C29H37N5O and a molecular weight of 471.65 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID90560742
Molecular FormulaC29H37N5O
Molecular Weight471.65 g/mol
Exact Mass471.30
IUPAC Name1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(CCn2ccnc2-c2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C29H37N5O/c35-28(33-14-11-26(12-15-33)23-25-7-3-1-4-8-25)24-32-19-17-31(18-20-32)21-22-34-16-13-30-29(34)27-9-5-2-6-10-27/h1-10,13,16,26H,11-12,14-15,17-24H2
InChIKeyQIZPNXUPRHFMOX-UHFFFAOYSA-N
XLogP3.65
TPSA44.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.65
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
1-(4-benzylpiperidin-1-yl)-2-[4-(2-imidazol-1-ylethyl)piperazin-1-yl]ethanone
CID 90533380
4-chloro-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]butan-1-one
CID 90560596
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
1-(4-benzylpiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8547000
1-(4-benzylpiperidin-1-yl)-2-[4-[(2-ethylimidazol-1-yl)methyl]-4-hydroxypiperidin-1-yl]ethanone
CID 92589518
1-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492944
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 90560712
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone (CID 90560742) is 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is O=C(CN1CCN(CCn2ccnc2-c2ccccc2)CC1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is QIZPNXUPRHFMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O/c35-28(33-14-11-26(12-15-33)23-25-7-3-1-4-8-25)24-32-19-17-31(18-20-32)21-22-34-16-13-30-29(34)27-9-5-2-6-10-27/h1-10,13,16,26H,11-12,14-15,17-24H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone?
1-(4-benzylpiperidin-1-yl)-2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 471.65 g/mol, XLogP of 3.65, 8 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-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 90560742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).