1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

C20H28N4O — CID 17442702

IUPAC1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1C(C)C
InChIInChI=1S/C20H28N4O/c1-15(2)24-16(3)13-18(17(24)4)19(25)14-22-9-11-23(12-10-22)20-7-5-6-8-21-20/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyCEIVGAUIIPRDME-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.09
Rot. Bonds5

About 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (PubChem CID 17442702) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
PubChem CID17442702
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
SMILESCc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1C(C)C
InChIInChI=1S/C20H28N4O/c1-15(2)24-16(3)13-18(17(24)4)19(25)14-22-9-11-23(12-10-22)20-7-5-6-8-21-20/h5-8,13,15H,9-12,14H2,1-4H3
InChIKeyCEIVGAUIIPRDME-UHFFFAOYSA-N
XLogP3.09
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

1-[1-[2-(4-fluorophenyl)ethyl]-2,5-dimethylpyrrol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 8596859
2-(azepan-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654057
2-(4-benzylsulfonylpiperazin-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 8694229
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 26601477
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone;dihydrochloride
CID 28078
4-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-N-propylpiperazine-1-carboxamide
CID 110658829
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
2-(4-pyridin-2-ylpiperazin-1-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 43219792
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[4-[(4-fluorophenyl)methylsulfonyl]piperazin-1-yl]ethanone
CID 110658866
1-(5-bromothiophen-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228330

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone (CID 17442702) is 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is Cc1cc(C(=O)CN2CCN(c3ccccn3)CC2)c(C)n1C(C)C.
What is the InChIKey of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is CEIVGAUIIPRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-15(2)24-16(3)13-18(17(24)4)19(25)14-22-9-11-23(12-10-22)20-7-5-6-8-21-20/h5-8,13,15H,9-12,14H2,1-4H3.
What are the key properties of 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone?
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 340.47 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 17442702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).