(4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone

C21H26FN3O — CID 22518265

IUPAC(4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H26FN3O/c1-15-19(14-20(23-15)16-6-8-17(22)9-7-16)21(26)25-12-10-24(11-13-25)18-4-2-3-5-18/h6-9,14,18,23H,2-5,10-13H2,1H3
InChIKeyFLFSMLFGGNAHMK-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.83
Rot. Bonds3

About (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone (PubChem CID 22518265) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone
PubChem CID22518265
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone
SMILESCc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C21H26FN3O/c1-15-19(14-20(23-15)16-6-8-17(22)9-7-16)21(26)25-12-10-24(11-13-25)18-4-2-3-5-18/h6-9,14,18,23H,2-5,10-13H2,1H3
InChIKeyFLFSMLFGGNAHMK-UHFFFAOYSA-N
XLogP3.83
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone (CID 22518265) is (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone is Cc1[nH]c(-c2ccc(F)cc2)cc1C(=O)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone?
The InChIKey is FLFSMLFGGNAHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-19(14-20(23-15)16-6-8-17(22)9-7-16)21(26)25-12-10-24(11-13-25)18-4-2-3-5-18/h6-9,14,18,23H,2-5,10-13H2,1H3.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone has a molecular weight of 355.46 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[5-(4-fluorophenyl)-2-methyl-1H-pyrrol-3-yl]methanone is sourced from PubChem (CID 22518265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).