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

C20H25N3O2 — CID 110802146

IUPAC(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)n(C)c2C)CC1
InChIInChI=1S/C20H25N3O2/c1-14-7-5-6-8-17(14)19(24)22-9-11-23(12-10-22)20(25)18-13-15(2)21(4)16(18)3/h5-8,13H,9-12H2,1-4H3
InChIKeyKVRRTTRYTOHBFD-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.55
Rot. Bonds2

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

(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 110802146) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID110802146
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)n(C)c2C)CC1
InChIInChI=1S/C20H25N3O2/c1-14-7-5-6-8-17(14)19(24)22-9-11-23(12-10-22)20(25)18-13-15(2)21(4)16(18)3/h5-8,13H,9-12H2,1-4H3
InChIKeyKVRRTTRYTOHBFD-UHFFFAOYSA-N
XLogP2.55
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chlorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110802824
(2-methylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 904148
1-[4-(2-methylbenzoyl)-1,4-diazepan-1-yl]-2-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110808027
3-phenyl-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 110802744
1H-pyrrol-3-yl-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815480
(2,4-difluorophenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815315
(3-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808039
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
(4-methylpiperazin-4-ium-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 9183186
(4-methylpiperidin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 110691230
(4-methylsulfanylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110815727
2-(4-methylphenyl)-1-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]ethanone
CID 110804247

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone (CID 110802146) is (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone is Cc1ccccc1C(=O)N1CCN(C(=O)c2cc(C)n(C)c2C)CC1.
What is the InChIKey of (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is KVRRTTRYTOHBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-7-5-6-8-17(14)19(24)22-9-11-23(12-10-22)20(25)18-13-15(2)21(4)16(18)3/h5-8,13H,9-12H2,1-4H3.
What are the key properties of (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone?
(2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(1,2,5-trimethylpyrrole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110802146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).