[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

C16H18FN3O — CID 110762669

IUPAC[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C16H18FN3O/c1-18-7-6-13(12-18)16(21)20-10-8-19(9-11-20)15-4-2-14(17)3-5-15/h2-7,12H,8-11H2,1H3
InChIKeyDQTXQNPUSVAHTN-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.13
Rot. Bonds2

About [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone

[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (PubChem CID 110762669) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
PubChem CID110762669
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
SMILESCn1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C16H18FN3O/c1-18-7-6-13(12-18)16(21)20-10-8-19(9-11-20)15-4-2-14(17)3-5-15/h2-7,12H,8-11H2,1H3
InChIKeyDQTXQNPUSVAHTN-UHFFFAOYSA-N
XLogP2.13
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
[4-(4-chlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 873857
[4-(4-aminophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 9161600
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
[3-[4-(4-fluorophenyl)piperazine-1-carbonyl]phenyl]-pyrrolidin-1-ylmethanone
CID 109051662
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 110803075
[4-(3,4-dichlorophenyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 17217210
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(4-methoxyphenyl)pyridin-2-one
CID 91955023
1-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridin-2-one
CID 91955128

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The IUPAC name of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone (CID 110762669) is [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone.
What is the SMILES notation for [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The canonical SMILES for [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is Cn1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
The InChIKey is DQTXQNPUSVAHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-18-7-6-13(12-18)16(21)20-10-8-19(9-11-20)15-4-2-14(17)3-5-15/h2-7,12H,8-11H2,1H3.
What are the key properties of [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone?
[4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone has a molecular weight of 287.34 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone is sourced from PubChem (CID 110762669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).