furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone

C16H19N3O3 — CID 166326441

IUPACfuran-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2C)c[nH]1
InChIInChI=1S/C16H19N3O3/c1-11-8-13(9-17-11)15(20)19-6-5-18(10-12(19)2)16(21)14-4-3-7-22-14/h3-4,7-9,12,17H,5-6,10H2,1-2H3
InChIKeyRTEHRGWGWCKECA-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.90
Rot. Bonds2

About furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 166326441) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID166326441
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namefuran-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2C)c[nH]1
InChIInChI=1S/C16H19N3O3/c1-11-8-13(9-17-11)15(20)19-6-5-18(10-12(19)2)16(21)14-4-3-7-22-14/h3-4,7-9,12,17H,5-6,10H2,1-2H3
InChIKeyRTEHRGWGWCKECA-UHFFFAOYSA-N
XLogP1.90
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(cyclopropylmethyl)-4-(furan-2-carbonyl)-2-methylpiperazine-1-carboxamide
CID 167530296
furan-2-yl-(2-methylaziridin-1-yl)methanone
CID 71425455
furan-2-yl-(3-methylpiperazin-1-yl)methanone
CID 64980953
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413
[4-(2,6-dimethylpyrimidine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 110854718
[4-(3,5-dimethylbenzoyl)-3-methylpiperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 112811843
(3,5-dimethyl-4-phenylpiperazin-1-yl)-(furan-2-yl)methanone
CID 110602243
ethyl 4-[4-(furan-2-carbonyl)-3-methylpiperazine-1-carbonyl]-2,6-dimethylpyrimidine-5-carboxylate
CID 42743353
1-(furan-2-carbonyl)piperidine-3,4-dicarboxylic acid
CID 112568035
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
furan-2-yl-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 71805486

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone (CID 166326441) is furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccco3)CC2C)c[nH]1.
What is the InChIKey of furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RTEHRGWGWCKECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-11-8-13(9-17-11)15(20)19-6-5-18(10-12(19)2)16(21)14-4-3-7-22-14/h3-4,7-9,12,17H,5-6,10H2,1-2H3.
What are the key properties of furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[3-methyl-4-(5-methyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 166326441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).