(3-methylimidazol-4-yl)-piperidin-4-ylmethanone

C10H15N3O — CID 66687558

IUPAC(3-methylimidazol-4-yl)-piperidin-4-ylmethanone
SMILESCn1cncc1C(=O)C1CCNCC1
InChIInChI=1S/C10H15N3O/c1-13-7-12-6-9(13)10(14)8-2-4-11-5-3-8/h6-8,11H,2-5H2,1H3
InChIKeyLGVNUXFYLYVQMP-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.60
Rot. Bonds2

About (3-methylimidazol-4-yl)-piperidin-4-ylmethanone

(3-methylimidazol-4-yl)-piperidin-4-ylmethanone (PubChem CID 66687558) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (3-methylimidazol-4-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(3-methylimidazol-4-yl)-piperidin-4-ylmethanone
PubChem CID66687558
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(3-methylimidazol-4-yl)-piperidin-4-ylmethanone
SMILESCn1cncc1C(=O)C1CCNCC1
InChIInChI=1S/C10H15N3O/c1-13-7-12-6-9(13)10(14)8-2-4-11-5-3-8/h6-8,11H,2-5H2,1H3
InChIKeyLGVNUXFYLYVQMP-UHFFFAOYSA-N
XLogP0.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone?
The IUPAC name of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone (CID 66687558) is (3-methylimidazol-4-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (3-methylimidazol-4-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (3-methylimidazol-4-yl)-piperidin-4-ylmethanone is Cn1cncc1C(=O)C1CCNCC1.
What is the InChIKey of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone?
The InChIKey is LGVNUXFYLYVQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-7-12-6-9(13)10(14)8-2-4-11-5-3-8/h6-8,11H,2-5H2,1H3.
What are the key properties of (3-methylimidazol-4-yl)-piperidin-4-ylmethanone?
(3-methylimidazol-4-yl)-piperidin-4-ylmethanone has a molecular weight of 193.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylimidazol-4-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 66687558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).