1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one

C13H21N3O — CID 115273150

IUPAC1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC1(C)CNCCN1C(=O)CCc1ccc[nH]1
InChIInChI=1S/C13H21N3O/c1-13(2)10-14-8-9-16(13)12(17)6-5-11-4-3-7-15-11/h3-4,7,14-15H,5-6,8-10H2,1-2H3
InChIKeyFCTVUXUYHXQKOD-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.16
Rot. Bonds3

About 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one

1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one (PubChem CID 115273150) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
PubChem CID115273150
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
SMILESCC1(C)CNCCN1C(=O)CCc1ccc[nH]1
InChIInChI=1S/C13H21N3O/c1-13(2)10-14-8-9-16(13)12(17)6-5-11-4-3-7-15-11/h3-4,7,14-15H,5-6,8-10H2,1-2H3
InChIKeyFCTVUXUYHXQKOD-UHFFFAOYSA-N
XLogP1.16
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpiperazin-1-yl)-3-(2-methylphenyl)propan-1-one
CID 65460524
1-(2,2-dimethylpiperazin-1-yl)-3-(4-methylphenyl)propan-1-one
CID 65460937
1-(2,2-dimethylpiperazin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 115273147
1-(2,2-dimethylpiperazin-1-yl)-3-pyridin-2-ylpropan-1-one
CID 81483874
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-3-(1H-pyrrol-2-yl)propan-1-one
CID 115270770
1-(3-hydroxy-2,2-dimethylpiperidin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 115275806
1-(2,2-dimethylpiperazin-1-yl)-3-phenoxypropan-1-one
CID 65461132
1-(4-hydroxy-2,2-dimethylpiperidin-1-yl)-4-(1H-pyrrol-2-yl)butan-1-one
CID 115276035
1-[2-(aminomethyl)-2-methylpiperidin-1-yl]-4-(1H-pyrrol-2-yl)butan-1-one
CID 115270786
2-methyl-1-[4-(1H-pyrrol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 115270475
6,6-dimethyl-1-[4-(1H-pyrrol-2-yl)butanoyl]piperidin-3-one
CID 115276324
1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131691561

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one (CID 115273150) is 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one is CC1(C)CNCCN1C(=O)CCc1ccc[nH]1.
What is the InChIKey of 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
The InChIKey is FCTVUXUYHXQKOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-13(2)10-14-8-9-16(13)12(17)6-5-11-4-3-7-15-11/h3-4,7,14-15H,5-6,8-10H2,1-2H3.
What are the key properties of 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one?
1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpiperazin-1-yl)-3-(1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 115273150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).