1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone

C22H26N4O — CID 90533764

IUPAC1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESCc1nccn1CCN1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H26N4O/c1-18-23-9-10-25(18)14-11-24-12-15-26(16-13-24)22(27)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10H,11-17H2,1H3
InChIKeySQESUUBDRQKHIX-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.73
Rot. Bonds5

About 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone (PubChem CID 90533764) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
PubChem CID90533764
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
SMILESCc1nccn1CCN1CCN(C(=O)Cc2cccc3ccccc23)CC1
InChIInChI=1S/C22H26N4O/c1-18-23-9-10-25(18)14-11-24-12-15-26(16-13-24)22(27)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10H,11-17H2,1H3
InChIKeySQESUUBDRQKHIX-UHFFFAOYSA-N
XLogP2.73
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1-[4-[2-(3,5-dimethylpyrazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone
CID 90508787
3-(benzenesulfonyl)-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90533828
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]pentan-1-one
CID 90533659
N-benzyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533919
3-[4-(2-naphthalen-1-ylacetyl)piperazin-1-yl]propanenitrile
CID 54788097
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
2-phenyl-1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560661
1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 90561493
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
(4-chlorophenyl)-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90533707

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The IUPAC name of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone (CID 90533764) is 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone.
What is the SMILES notation for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The canonical SMILES for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone is Cc1nccn1CCN1CCN(C(=O)Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
The InChIKey is SQESUUBDRQKHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-18-23-9-10-25(18)14-11-24-12-15-26(16-13-24)22(27)17-20-7-4-6-19-5-2-3-8-21(19)20/h2-10H,11-17H2,1H3.
What are the key properties of 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone?
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone has a molecular weight of 362.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]-2-naphthalen-1-ylethanone is sourced from PubChem (CID 90533764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).