2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H25N3O — CID 62029794

IUPAC2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)C2CCNCC2)c(C)n1C
InChIInChI=1S/C15H25N3O/c1-11-9-14(12(2)18(11)4)15(19)10-17(3)13-5-7-16-8-6-13/h9,13,16H,5-8,10H2,1-4H3
InChIKeyLLLSSSQILPXTBT-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.51
Rot. Bonds4

About 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 62029794) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID62029794
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(C)C2CCNCC2)c(C)n1C
InChIInChI=1S/C15H25N3O/c1-11-9-14(12(2)18(11)4)15(19)10-17(3)13-5-7-16-8-6-13/h9,13,16H,5-8,10H2,1-4H3
InChIKeyLLLSSSQILPXTBT-UHFFFAOYSA-N
XLogP1.51
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperazin-1-yl-4-(1,2,5-trimethylpyrrol-3-yl)butane-1,4-dione
CID 98034617
piperidin-3-yl-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 82494175
1-(3-bromophenyl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 62031890
2-chloro-1-[1-[2-[cyclopropyl(methyl)amino]ethyl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 62979236
2-[methyl(piperidin-4-yl)amino]-1-thiophen-2-ylethanone
CID 62030561
2-[methyl(oxolan-2-ylmethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 61432107
2-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 63684187
2-[azepan-4-yl(methyl)amino]acetic acid
CID 107173147
2-[ethyl-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]amino]-N,N-dimethylacetamide
CID 62035350
2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 60650520
2-[methyl(1-methylsulfanylpropan-2-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 112697788
N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride
CID 119443966

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 62029794) is 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CN(C)C2CCNCC2)c(C)n1C.
What is the InChIKey of 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is LLLSSSQILPXTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-9-14(12(2)18(11)4)15(19)10-17(3)13-5-7-16-8-6-13/h9,13,16H,5-8,10H2,1-4H3.
What are the key properties of 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 263.38 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 62029794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).