2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

C18H30N4O — CID 90494621

IUPAC2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nccn1CC1CCN(CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H30N4O/c1-15-3-10-21(11-4-15)18(23)14-20-8-5-17(6-9-20)13-22-12-7-19-16(22)2/h7,12,15,17H,3-6,8-11,13-14H2,1-2H3
InChIKeyZVOJDFBJJHMCSP-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.16
Rot. Bonds4

About 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone

2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (PubChem CID 90494621) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
PubChem CID90494621
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
SMILESCc1nccn1CC1CCN(CC(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H30N4O/c1-15-3-10-21(11-4-15)18(23)14-20-8-5-17(6-9-20)13-22-12-7-19-16(22)2/h7,12,15,17H,3-6,8-11,13-14H2,1-2H3
InChIKeyZVOJDFBJJHMCSP-UHFFFAOYSA-N
XLogP2.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone 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-methylimidazol-1-yl)methyl]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 90493104
1-piperidin-1-yl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494161
N-(4-acetamidophenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494672
N-cyclohexyl-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 90494748
1-(azepan-1-yl)-2-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494396
2-(3-methoxyphenoxy)-1-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90493100
(2,4-dimethyl-1,3-thiazol-5-yl)-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493668
N-(2-ethoxyphenyl)-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90494653
N-(4-ethoxyphenyl)-4-[(2-methylimidazol-1-yl)methyl]piperidine-1-carboxamide
CID 71781139
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 90494024
N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 91838315
2-(2-methylimidazol-1-yl)-1-[4-[(2-methyl-4-pyridinyl)methyl]piperidin-1-yl]ethanone
CID 110102963

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone (CID 90494621) is 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is Cc1nccn1CC1CCN(CC(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
The InChIKey is ZVOJDFBJJHMCSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-15-3-10-21(11-4-15)18(23)14-20-8-5-17(6-9-20)13-22-12-7-19-16(22)2/h7,12,15,17H,3-6,8-11,13-14H2,1-2H3.
What are the key properties of 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone?
2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 90494621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).