(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone

C19H21F2N3O2 — CID 110815315

IUPAC(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)n1C
InChIInChI=1S/C19H21F2N3O2/c1-12-10-16(13(2)22(12)3)19(26)24-8-6-23(7-9-24)18(25)15-5-4-14(20)11-17(15)21/h4-5,10-11H,6-9H2,1-3H3
InChIKeyHIASKEXHONMLMH-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.52
Rot. Bonds2

About (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone

(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 110815315) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID110815315
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)n1C
InChIInChI=1S/C19H21F2N3O2/c1-12-10-16(13(2)22(12)3)19(26)24-8-6-23(7-9-24)18(25)15-5-4-14(20)11-17(15)21/h4-5,10-11H,6-9H2,1-3H3
InChIKeyHIASKEXHONMLMH-UHFFFAOYSA-N
XLogP2.52
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 48868982
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802146
N-(2,4-difluorophenyl)-2-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 3793476
(4-fluoro-3-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816506
(4-methylpiperazin-4-ium-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 9183186
(3-fluoro-4-methoxyphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815008
(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
(4-methylsulfanylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815727
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
azetidin-1-yl-(4-fluoro-2-methylphenyl)methanone
CID 130163592

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone (CID 110815315) is (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccc(F)cc3F)CC2)c(C)n1C.
What is the InChIKey of (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is HIASKEXHONMLMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-12-10-16(13(2)22(12)3)19(26)24-8-6-23(7-9-24)18(25)15-5-4-14(20)11-17(15)21/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 361.39 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110815315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).