3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide

C23H24N4O2 — CID 11200069

IUPAC3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide
SMILESCn1cc(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)c(-c2ccccc2)c1
InChIInChI=1S/C23H24N4O2/c1-25-15-20(17-6-3-2-4-7-17)21(16-25)23(29)27-12-10-26(11-13-27)19-9-5-8-18(14-19)22(24)28/h2-9,14-16H,10-13H2,1H3,(H2,24,28)
InChIKeyMGNLQALRHMQGRS-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.75
Rot. Bonds4

About 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide

3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide (PubChem CID 11200069) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide
PubChem CID11200069
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide
SMILESCn1cc(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)c(-c2ccccc2)c1
InChIInChI=1S/C23H24N4O2/c1-25-15-20(17-6-3-2-4-7-17)21(16-25)23(29)27-12-10-26(11-13-27)19-9-5-8-18(14-19)22(24)28/h2-9,14-16H,10-13H2,1H3,(H2,24,28)
InChIKeyMGNLQALRHMQGRS-UHFFFAOYSA-N
XLogP2.75
TPSA71.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide
CID 11749162
3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide
CID 11269806
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
[4-(3-methylphenyl)piperazin-1-yl]-(1-methylpyrrol-3-yl)methanone
CID 110762685
(3-chlorophenyl)-(1-methyl-4-phenylpyrrol-3-yl)methanone
CID 101047208
[4-(4-aminophenyl)piperazin-1-yl]-(2-phenylphenyl)methanone
CID 17234149
(1-methylindol-3-yl)-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 27041838
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
hydrazine;[4-[4-(2-morpholin-4-ylethyl)-3-phenylphenyl]piperazin-1-yl]-phenylmethanone
CID 67388775
(1,3-diphenylpyrazol-4-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574762
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide (CID 11200069) is 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide is Cn1cc(C(=O)N2CCN(c3cccc(C(N)=O)c3)CC2)c(-c2ccccc2)c1.
What is the InChIKey of 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is MGNLQALRHMQGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-25-15-20(17-6-3-2-4-7-17)21(16-25)23(29)27-12-10-26(11-13-27)19-9-5-8-18(14-19)22(24)28/h2-9,14-16H,10-13H2,1H3,(H2,24,28).
What are the key properties of 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide?
3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 11200069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).