5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide

C17H26N4O3 — CID 122153448

IUPAC5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESCC1CN(C(=O)C(C)(C)C)CC(C)N1C(=O)c1ccc(C(N)=O)[nH]1
InChIInChI=1S/C17H26N4O3/c1-10-8-20(16(24)17(3,4)5)9-11(2)21(10)15(23)13-7-6-12(19-13)14(18)22/h6-7,10-11,19H,8-9H2,1-5H3,(H2,18,22)
InChIKeyDXIPWZOTKQUWKX-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.22
Rot. Bonds2

About 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide

5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide (PubChem CID 122153448) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide
PubChem CID122153448
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide
SMILESCC1CN(C(=O)C(C)(C)C)CC(C)N1C(=O)c1ccc(C(N)=O)[nH]1
InChIInChI=1S/C17H26N4O3/c1-10-8-20(16(24)17(3,4)5)9-11(2)21(10)15(23)13-7-6-12(19-13)14(18)22/h6-7,10-11,19H,8-9H2,1-5H3,(H2,18,22)
InChIKeyDXIPWZOTKQUWKX-UHFFFAOYSA-N
XLogP1.22
TPSA99.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide (CID 122153448) is 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide is CC1CN(C(=O)C(C)(C)C)CC(C)N1C(=O)c1ccc(C(N)=O)[nH]1.
What is the InChIKey of 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide?
The InChIKey is DXIPWZOTKQUWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-10-8-20(16(24)17(3,4)5)9-11(2)21(10)15(23)13-7-6-12(19-13)14(18)22/h6-7,10-11,19H,8-9H2,1-5H3,(H2,18,22).
What are the key properties of 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide?
5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,2-dimethylpropanoyl)-2,6-dimethylpiperazine-1-carbonyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 122153448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).