2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone

C15H25N3O — CID 82501377

IUPAC2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCNCC2)c(C)n1C(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)18-12(3)9-14(13(18)4)10-15(19)17-7-5-16-6-8-17/h9,11,16H,5-8,10H2,1-4H3
InChIKeySZEVQEDCWJKSSL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.66
Rot. Bonds3

About 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone

2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone (PubChem CID 82501377) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone
PubChem CID82501377
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone
SMILESCc1cc(CC(=O)N2CCNCC2)c(C)n1C(C)C
InChIInChI=1S/C15H25N3O/c1-11(2)18-12(3)9-14(13(18)4)10-15(19)17-7-5-16-6-8-17/h9,11,16H,5-8,10H2,1-4H3
InChIKeySZEVQEDCWJKSSL-UHFFFAOYSA-N
XLogP1.66
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropyl)phenyl]-1-piperazin-1-ylethanone
CID 82132922
2-(4-chloro-2-methylphenyl)-1-piperazin-1-ylethanone
CID 82511847
3-hydroxy-1-piperazin-1-ylbutan-1-one
CID 10583332
2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)-1-piperazin-1-ylethanone
CID 98020112
4-(5-tert-butyl-2-methylphenyl)-3-methyl-1-piperazin-1-ylbutan-1-one
CID 83935353
2-methyl-1-[4-[2-(1,2,5-trimethylpyrrol-3-yl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110806399
2-(4-chloro-3-methylphenyl)-1-piperazin-1-ylethanone
CID 82511840
1-piperazin-1-yl-2-(3-propan-2-yloxyphenyl)ethanone
CID 119400816
2-(4-ethoxy-2,5-dimethylphenyl)-1-piperazin-1-ylethanone
CID 82134628
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-(3-methyl-2-pyridinyl)-1-piperazin-1-ylethanone
CID 107147060
1-(1,4-diazepan-1-yl)-2-(2,3,5,6-tetramethylphenyl)ethanone
CID 94698726

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone?
The IUPAC name of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone (CID 82501377) is 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone?
The canonical SMILES for 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone is Cc1cc(CC(=O)N2CCNCC2)c(C)n1C(C)C.
What is the InChIKey of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone?
The InChIKey is SZEVQEDCWJKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)18-12(3)9-14(13(18)4)10-15(19)17-7-5-16-6-8-17/h9,11,16H,5-8,10H2,1-4H3.
What are the key properties of 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone?
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone has a molecular weight of 263.38 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-1-piperazin-1-ylethanone is sourced from PubChem (CID 82501377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).