N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide

C28H31N3O3 — CID 123453577

About N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide

N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide (PubChem CID 123453577) has the molecular formula C28H31N3O3 and a molecular weight of 457.57 g/mol. Its IUPAC name is N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide
• PubChem CID: 123453577
• Molecular Formula: C28H31N3O3
• Molecular Weight: 457.57 g/mol
• Exact Mass: 457.24
• IUPAC Name: N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide
• SMILES: Cc1ccc(C(=O)Nc2cc(C(=O)CC3CC3)ccc2N2CCN(c3ccccc3C)CC2)o1
• InChI: InChI=1S/C28H31N3O3/c1-19-5-3-4-6-24(19)30-13-15-31(16-14-30)25-11-10-22(26(32)17-21-8-9-21)18-23(25)29-28(33)27-12-7-20(2)34-27/h3-7,10-12,18,21H,8-9,13-17H2,1-2H3,(H,29,33)
• InChIKey: DTLGSKCXDCCDQE-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 65.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.57
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?

The IUPAC name of N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide (CID 123453577) is N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide.

What is the SMILES notation for N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?

The canonical SMILES for N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)Nc2cc(C(=O)CC3CC3)ccc2N2CCN(c3ccccc3C)CC2)o1.

What is the InChIKey of N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?

The InChIKey is DTLGSKCXDCCDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O3/c1-19-5-3-4-6-24(19)30-13-15-31(16-14-30)25-11-10-22(26(32)17-21-8-9-21)18-23(25)29-28(33)27-12-7-20(2)34-27/h3-7,10-12,18,21H,8-9,13-17H2,1-2H3,(H,29,33).

What are the key properties of N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide?

N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide has a molecular weight of 457.57 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2-cyclopropylacetyl)-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 123453577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).