3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide

C22H22N4O2 — CID 11749162

IUPAC3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCN(C(=O)c3[nH]ccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C22H22N4O2/c23-21(27)17-7-4-8-18(15-17)25-11-13-26(14-12-25)22(28)20-19(9-10-24-20)16-5-2-1-3-6-16/h1-10,15,24H,11-14H2,(H2,23,27)
InChIKeyOSMVJIRBVRPVLQ-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.74
Rot. Bonds4

About 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide

3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide (PubChem CID 11749162) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide
PubChem CID11749162
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCN(C(=O)c3[nH]ccc3-c3ccccc3)CC2)c1
InChIInChI=1S/C22H22N4O2/c23-21(27)17-7-4-8-18(15-17)25-11-13-26(14-12-25)22(28)20-19(9-10-24-20)16-5-2-1-3-6-16/h1-10,15,24H,11-14H2,(H2,23,27)
InChIKeyOSMVJIRBVRPVLQ-UHFFFAOYSA-N
XLogP2.74
TPSA82.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(1-methyl-4-phenylpyrrole-3-carbonyl)piperazin-1-yl]benzamide
CID 11200069
3-[4-(2-oxo-4-phenyl-3H-1,3-thiazole-5-carbonyl)piperazin-1-yl]benzamide
CID 11269806
3-[3-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 71189662
3-(2,5-dihydropyrrol-1-yl)benzamide
CID 90286995
4-(3-phenylphenyl)piperazine-1-carboxylic acid
CID 69366548
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
(3-bromophenyl)-(4-phenylpiperazin-1-yl)methanone
CID 1355446
3-(4-piperidin-1-ylphenyl)benzamide
CID 68760605
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
3-phenylbenzamide;phosphoric acid
CID 130454344
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-phenylpiperazin-1-yl)methanone
CID 50828707
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide (CID 11749162) is 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide is NC(=O)c1cccc(N2CCN(C(=O)c3[nH]ccc3-c3ccccc3)CC2)c1.
What is the InChIKey of 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is OSMVJIRBVRPVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-21(27)17-7-4-8-18(15-17)25-11-13-26(14-12-25)22(28)20-19(9-10-24-20)16-5-2-1-3-6-16/h1-10,15,24H,11-14H2,(H2,23,27).
What are the key properties of 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide?
3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 374.44 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenyl-1H-pyrrole-2-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 11749162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).