N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide

C32H32N4O3 — CID 1066513

About N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide

N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 1066513) has the molecular formula C32H32N4O3 and a molecular weight of 520.63 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
• PubChem CID: 1066513
• Molecular Formula: C32H32N4O3
• Molecular Weight: 520.63 g/mol
• Exact Mass: 520.25
• IUPAC Name: N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
• SMILES: COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NC2CC2)CC1
• InChI: InChI=1S/C32H32N4O3/c1-39-30-12-5-4-11-29(30)36-19-17-35(18-20-36)28-16-15-24(21-27(28)32(38)33-23-13-14-23)34-31(37)26-10-6-8-22-7-2-3-9-25(22)26/h2-12,15-16,21,23H,13-14,17-20H2,1H3,(H,33,38)(H,34,37)
• InChIKey: WCZKICKERHLBNM-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.63
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?

The IUPAC name of N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide (CID 1066513) is N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?

The canonical SMILES for N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide is COc1ccccc1N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2C(=O)NC2CC2)CC1.

What is the InChIKey of N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?

The InChIKey is WCZKICKERHLBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N4O3/c1-39-30-12-5-4-11-29(30)36-19-17-35(18-20-36)28-16-15-24(21-27(28)32(38)33-23-13-14-23)34-31(37)26-10-6-8-22-7-2-3-9-25(22)26/h2-12,15-16,21,23H,13-14,17-20H2,1H3,(H,33,38)(H,34,37).

What are the key properties of N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide?

N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 520.63 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 1066513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).