(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone

C14H23N3O — CID 65460739

IUPAC(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C14H23N3O/c1-11(2)16-8-5-6-12(16)13(18)17-9-7-15-10-14(17,3)4/h5-6,8,11,15H,7,9-10H2,1-4H3
InChIKeyXGXDTZBOISDSGJ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.89
Rot. Bonds2

About (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone

(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone (PubChem CID 65460739) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
PubChem CID65460739
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone
SMILESCC(C)n1cccc1C(=O)N1CCNCC1(C)C
InChIInChI=1S/C14H23N3O/c1-11(2)16-8-5-6-12(16)13(18)17-9-7-15-10-14(17,3)4/h5-6,8,11,15H,7,9-10H2,1-4H3
InChIKeyXGXDTZBOISDSGJ-UHFFFAOYSA-N
XLogP1.89
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
The IUPAC name of (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone (CID 65460739) is (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone.
What is the SMILES notation for (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
The canonical SMILES for (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone is CC(C)n1cccc1C(=O)N1CCNCC1(C)C.
What is the InChIKey of (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
The InChIKey is XGXDTZBOISDSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)16-8-5-6-12(16)13(18)17-9-7-15-10-14(17,3)4/h5-6,8,11,15H,7,9-10H2,1-4H3.
What are the key properties of (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone?
(2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpiperazin-1-yl)-(1-propan-2-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 65460739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).