2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone

C18H30N4O — CID 53193457

IUPAC2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCCC1CCN1CCCCC1
InChIInChI=1S/C18H30N4O/c1-16-19-9-14-21(16)15-18(23)22-12-6-3-7-17(22)8-13-20-10-4-2-5-11-20/h9,14,17H,2-8,10-13,15H2,1H3
InChIKeyLUVFCVVDHRACRD-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.45
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone

2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone (PubChem CID 53193457) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
PubChem CID53193457
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC Name2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone
SMILESCc1nccn1CC(=O)N1CCCCC1CCN1CCCCC1
InChIInChI=1S/C18H30N4O/c1-16-19-9-14-21(16)15-18(23)22-12-6-3-7-17(22)8-13-20-10-4-2-5-11-20/h9,14,17H,2-8,10-13,15H2,1H3
InChIKeyLUVFCVVDHRACRD-UHFFFAOYSA-N
XLogP2.45
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone (CID 53193457) is 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone is Cc1nccn1CC(=O)N1CCCCC1CCN1CCCCC1.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
The InChIKey is LUVFCVVDHRACRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-16-19-9-14-21(16)15-18(23)22-12-6-3-7-17(22)8-13-20-10-4-2-5-11-20/h9,14,17H,2-8,10-13,15H2,1H3.
What are the key properties of 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone?
2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-1-[2-(2-piperidin-1-ylethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 53193457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).