(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone

C11H17N3O — CID 63910003

IUPAC(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O/c1-8-6-12-7-9(2)14(8)11(15)10-4-3-5-13-10/h3-5,8-9,12-13H,6-7H2,1-2H3
InChIKeySGCOSGNQMANILA-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.84
Rot. Bonds1

About (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone

(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone (PubChem CID 63910003) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
PubChem CID63910003
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
SMILESCC1CNCC(C)N1C(=O)c1ccc[nH]1
InChIInChI=1S/C11H17N3O/c1-8-6-12-7-9(2)14(8)11(15)10-4-3-5-13-10/h3-5,8-9,12-13H,6-7H2,1-2H3
InChIKeySGCOSGNQMANILA-UHFFFAOYSA-N
XLogP0.84
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The IUPAC name of (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone (CID 63910003) is (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone.
What is the SMILES notation for (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The canonical SMILES for (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone is CC1CNCC(C)N1C(=O)c1ccc[nH]1.
What is the InChIKey of (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
The InChIKey is SGCOSGNQMANILA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-6-12-7-9(2)14(8)11(15)10-4-3-5-13-10/h3-5,8-9,12-13H,6-7H2,1-2H3.
What are the key properties of (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone?
(2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone has a molecular weight of 207.28 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 63910003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).