(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone

C11H18N4O — CID 63604483

IUPAC(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)c[nH]2)CCN1C
InChIInChI=1S/C11H18N4O/c1-8-7-15(4-3-14(8)2)11(16)10-5-9(12)6-13-10/h5-6,8,13H,3-4,7,12H2,1-2H3
InChIKeyOTMXPUPPIZRSLZ-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.37
Rot. Bonds1

About (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone

(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 63604483) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID63604483
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cc(N)c[nH]2)CCN1C
InChIInChI=1S/C11H18N4O/c1-8-7-15(4-3-14(8)2)11(16)10-5-9(12)6-13-10/h5-6,8,13H,3-4,7,12H2,1-2H3
InChIKeyOTMXPUPPIZRSLZ-UHFFFAOYSA-N
XLogP0.37
TPSA65.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone (CID 63604483) is (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cc(N)c[nH]2)CCN1C.
What is the InChIKey of (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is OTMXPUPPIZRSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-8-7-15(4-3-14(8)2)11(16)10-5-9(12)6-13-10/h5-6,8,13H,3-4,7,12H2,1-2H3.
What are the key properties of (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone?
(4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 222.29 g/mol, XLogP of 0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-pyrrol-2-yl)-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 63604483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).