(1-methylimidazol-4-yl)-piperazin-1-ylmethanone

C9H14N4O — CID 82505252

IUPAC(1-methylimidazol-4-yl)-piperazin-1-ylmethanone
SMILESCn1cnc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C9H14N4O/c1-12-6-8(11-7-12)9(14)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3
InChIKeyXDHWHENLNOXYDX-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.53
Rot. Bonds1

About (1-methylimidazol-4-yl)-piperazin-1-ylmethanone

(1-methylimidazol-4-yl)-piperazin-1-ylmethanone (PubChem CID 82505252) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-methylimidazol-4-yl)-piperazin-1-ylmethanone
PubChem CID82505252
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(1-methylimidazol-4-yl)-piperazin-1-ylmethanone
SMILESCn1cnc(C(=O)N2CCNCC2)c1
InChIInChI=1S/C9H14N4O/c1-12-6-8(11-7-12)9(14)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3
InChIKeyXDHWHENLNOXYDX-UHFFFAOYSA-N
XLogP-0.53
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-methylimidazol-4-yl)-piperazin-1-ylmethanone (CID 82505252) is (1-methylimidazol-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-methylimidazol-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-methylimidazol-4-yl)-piperazin-1-ylmethanone is Cn1cnc(C(=O)N2CCNCC2)c1.
What is the InChIKey of (1-methylimidazol-4-yl)-piperazin-1-ylmethanone?
The InChIKey is XDHWHENLNOXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-12-6-8(11-7-12)9(14)13-4-2-10-3-5-13/h6-7,10H,2-5H2,1H3.
What are the key properties of (1-methylimidazol-4-yl)-piperazin-1-ylmethanone?
(1-methylimidazol-4-yl)-piperazin-1-ylmethanone has a molecular weight of 194.24 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 82505252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).