1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

C28H31N3O5 — CID 59325209

IUPAC1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C(=O)O)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C28H31N3O5/c1-19-17-22(24(20-11-7-5-8-12-20)31(19)21-13-9-6-10-14-21)25(32)30-16-15-29(18-23(30)26(33)34)27(35)36-28(2,3)4/h5-14,17,23H,15-16,18H2,1-4H3,(H,33,34)
InChIKeySVRCTXHXGZRYOR-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.60
Rot. Bonds4

About 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid

1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (PubChem CID 59325209) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
PubChem CID59325209
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC Name1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
SMILESCc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C(=O)O)c(-c2ccccc2)n1-c1ccccc1
InChIInChI=1S/C28H31N3O5/c1-19-17-22(24(20-11-7-5-8-12-20)31(19)21-13-9-6-10-14-21)25(32)30-16-15-29(18-23(30)26(33)34)27(35)36-28(2,3)4/h5-14,17,23H,15-16,18H2,1-4H3,(H,33,34)
InChIKeySVRCTXHXGZRYOR-UHFFFAOYSA-N
XLogP4.60
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The IUPAC name of 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid (CID 59325209) is 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid.
What is the SMILES notation for 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The canonical SMILES for 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C(=O)O)c(-c2ccccc2)n1-c1ccccc1.
What is the InChIKey of 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
The InChIKey is SVRCTXHXGZRYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-19-17-22(24(20-11-7-5-8-12-20)31(19)21-13-9-6-10-14-21)25(32)30-16-15-29(18-23(30)26(33)34)27(35)36-28(2,3)4/h5-14,17,23H,15-16,18H2,1-4H3,(H,33,34).
What are the key properties of 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid?
1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid has a molecular weight of 489.57 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-diphenylpyrrole-3-carbonyl)-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid is sourced from PubChem (CID 59325209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).