[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone

C23H22FN3O2 — CID 1489210

IUPAC[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C23H22FN3O2/c1-16-6-2-3-7-18(16)22(28)17-14-20(25-15-17)23(29)27-12-10-26(11-13-27)21-9-5-4-8-19(21)24/h2-9,14-15,25H,10-13H2,1H3
InChIKeyVVSMPQDQMVKJRQ-UHFFFAOYSA-N
MW391.45 g/mol
LogP3.66
Rot. Bonds4

About [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone

[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone (PubChem CID 1489210) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone
PubChem CID1489210
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C23H22FN3O2/c1-16-6-2-3-7-18(16)22(28)17-14-20(25-15-17)23(29)27-12-10-26(11-13-27)21-9-5-4-8-19(21)24/h2-9,14-15,25H,10-13H2,1H3
InChIKeyVVSMPQDQMVKJRQ-UHFFFAOYSA-N
XLogP3.66
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-fluorophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 808454
(4-amino-1H-pyrrol-2-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 61110949
(2,4-dimethylphenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 925290
[4-(2-fluorophenyl)piperazin-1-yl]-(2-sulfanylidene-1H-pyridin-3-yl)methanone
CID 18167730
(3-fluoro-4-methylphenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 31113066
(3,5-difluorophenyl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 9151566
(2-aminophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 3648748
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]benzoic acid
CID 82183776
(3,5-dinitrophenyl)-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 2496852
[4-(2-bromophenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 113079338
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 673636
2-[4-(2-methylbenzoyl)piperazin-1-yl]benzonitrile
CID 113080800

Frequently Asked Questions

What is the IUPAC name of [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone?
The IUPAC name of [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone (CID 1489210) is [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1c[nH]c(C(=O)N2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone?
The InChIKey is VVSMPQDQMVKJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-16-6-2-3-7-18(16)22(28)17-14-20(25-15-17)23(29)27-12-10-26(11-13-27)21-9-5-4-8-19(21)24/h2-9,14-15,25H,10-13H2,1H3.
What are the key properties of [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone?
[5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone has a molecular weight of 391.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(2-fluorophenyl)piperazine-1-carbonyl]-1H-pyrrol-3-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 1489210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).