[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone

C15H19N3OS — CID 52992571

IUPAC[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nccn1CC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H19N3OS/c1-12-16-6-9-18(12)11-13-4-7-17(8-5-13)15(19)14-3-2-10-20-14/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3
InChIKeyPWVQPJSMNRUIQS-UHFFFAOYSA-N
MW289.40 g/mol
LogP2.81
Rot. Bonds3

About [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone

[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone (PubChem CID 52992571) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
PubChem CID52992571
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone
SMILESCc1nccn1CC1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C15H19N3OS/c1-12-16-6-9-18(12)11-13-4-7-17(8-5-13)15(19)14-3-2-10-20-14/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3
InChIKeyPWVQPJSMNRUIQS-UHFFFAOYSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone (CID 52992571) is [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone is Cc1nccn1CC1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is PWVQPJSMNRUIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-12-16-6-9-18(12)11-13-4-7-17(8-5-13)15(19)14-3-2-10-20-14/h2-3,6,9-10,13H,4-5,7-8,11H2,1H3.
What are the key properties of [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone?
[4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 289.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-methylimidazol-1-yl)methyl]piperidin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 52992571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).