(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C17H20FN3O — CID 110766155

IUPAC(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)[nH]1
InChIInChI=1S/C17H20FN3O/c1-12-11-16(13(2)19-12)17(22)21-9-7-20(8-10-21)15-5-3-14(18)4-6-15/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKLANEYULZHQUAD-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.73
Rot. Bonds2

About (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone

(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 110766155) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID110766155
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)[nH]1
InChIInChI=1S/C17H20FN3O/c1-12-11-16(13(2)19-12)17(22)21-9-7-20(8-10-21)15-5-3-14(18)4-6-15/h3-6,11,19H,7-10H2,1-2H3
InChIKeyKLANEYULZHQUAD-UHFFFAOYSA-N
XLogP2.73
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325
(2-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 798980
(2-chloro-4-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 100520261
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
(2-chloro-4-fluorophenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 46797435
(3,4-dimethylphenyl)-[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110814867
(3,4-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 669359
(3-amino-2-methylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 28723150
[4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815479
(7-fluoro-2-methylquinolin-4-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 55604624
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-(5-methyl-2-pyrrolidin-1-ylphenyl)methanone
CID 86962997
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 110766155) is (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(C)[nH]1.
What is the InChIKey of (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is KLANEYULZHQUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-12-11-16(13(2)19-12)17(22)21-9-7-20(8-10-21)15-5-3-14(18)4-6-15/h3-6,11,19H,7-10H2,1-2H3.
What are the key properties of (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 301.37 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110766155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).