(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone

C14H23N3O — CID 167873117

IUPAC(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone
SMILESCc1cn(C(C)C)cc1C(=O)N1CCNCC1C
InChIInChI=1S/C14H23N3O/c1-10(2)16-8-11(3)13(9-16)14(18)17-6-5-15-7-12(17)4/h8-10,12,15H,5-7H2,1-4H3
InChIKeyGZHMFQJRWDKOFT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds2

About (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone

(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone (PubChem CID 167873117) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone
PubChem CID167873117
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone
SMILESCc1cn(C(C)C)cc1C(=O)N1CCNCC1C
InChIInChI=1S/C14H23N3O/c1-10(2)16-8-11(3)13(9-16)14(18)17-6-5-15-7-12(17)4/h8-10,12,15H,5-7H2,1-4H3
InChIKeyGZHMFQJRWDKOFT-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82704843
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 103866771
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
(2-iodophenyl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82704622
(5-fluoro-2-methylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 63047401
(2,4-dihydroxyphenyl)-(2-methylpiperazin-1-yl)methanone
CID 62672945
(2,5-dimethylfuran-3-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 82705081
(2-hydroxy-4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756335
(2-methylpiperazin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone;hydrochloride
CID 119471534
(2-methyl-5-methylsulfanylphenyl)-(2-methylpiperazin-1-yl)methanone
CID 119471531
(4-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82705562
(2-bromo-5-methylphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 82756036

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone?
The IUPAC name of (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone (CID 167873117) is (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone?
The canonical SMILES for (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone is Cc1cn(C(C)C)cc1C(=O)N1CCNCC1C.
What is the InChIKey of (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone?
The InChIKey is GZHMFQJRWDKOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10(2)16-8-11(3)13(9-16)14(18)17-6-5-15-7-12(17)4/h8-10,12,15H,5-7H2,1-4H3.
What are the key properties of (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone?
(2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone has a molecular weight of 249.36 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(4-methyl-1-propan-2-ylpyrrol-3-yl)methanone is sourced from PubChem (CID 167873117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).