N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide

C117H150F5N9O12 — CID 161483732

About N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide

N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide (PubChem CID 161483732) has the molecular formula C117H150F5N9O12 and a molecular weight of 1969.53 g/mol. Its IUPAC name is N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
• PubChem CID: 161483732
• Molecular Formula: C117H150F5N9O12
• Molecular Weight: 1969.53 g/mol
• Exact Mass: 1968.13
• IUPAC Name: N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide
• SMILES: CCN1CCN(C(=O)[C@H](CCCCCC2(C)C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(F)cc2)CC1.COc1ccc([C@@H]2CC2(C)CCCCC[C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCCC2)cc1.COc1ccc([C@@H]2CC2(C)CCCOC[C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCC2)cc1.COc1ccc([C@@H]2CC2CCCCC[C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCCC2)cc1
• InChI: InChI=1S/C30H39F2N3O2.C30H39FN2O3.C29H37FN2O3.C28H35FN2O4/c1-3-34-17-19-35(20-18-34)29(37)27(33-28(36)23-10-14-25(32)15-11-23)7-5-4-6-16-30(2)21-26(30)22-8-12-24(31)13-9-22;1-30(21-26(30)22-12-16-25(36-2)17-13-22)18-6-3-5-9-27(29(35)33-19-7-4-8-20-33)32-28(34)23-10-14-24(31)15-11-23;1-35-25-16-12-21(13-17-25)26-20-23(26)8-4-2-5-9-27(29(34)32-18-6-3-7-19-32)31-28(33)22-10-14-24(30)15-11-22;1-28(18-24(28)20-8-12-23(34-2)13-9-20)14-5-17-35-19-25(27(33)31-15-3-4-16-31)30-26(32)21-6-10-22(29)11-7-21/h8-15,26-27H,3-7,16-21H2,1-2H3,(H,33,36);10-17,26-27H,3-9,18-21H2,1-2H3,(H,32,34);10-17,23,26-27H,2-9,18-20H2,1H3,(H,31,33);6-13,24-25H,3-5,14-19H2,1-2H3,(H,30,32)/t2*26-,27-,30?;23?,26-,27-;24-,25-,28?/m0000/s1
• InChIKey: WERXWBNERPKNOI-SRWRABJBSA-N
• XLogP: 21.71
• TPSA: 237.80 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 44
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1969.53
LogP ≤ 5	21.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?

The IUPAC name of N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide (CID 161483732) is N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide.

What is the SMILES notation for N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?

The canonical SMILES for N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide is CCN1CCN(C(=O)[C@H](CCCCCC2(C)C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(F)cc2)CC1.COc1ccc([C@@H]2CC2(C)CCCCC[C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCCC2)cc1.COc1ccc([C@@H]2CC2(C)CCCOC[C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCC2)cc1.COc1ccc([C@@H]2CC2CCCCC[C@H](NC(=O)c2ccc(F)cc2)C(=O)N2CCCCC2)cc1.

What is the InChIKey of N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?

The InChIKey is WERXWBNERPKNOI-SRWRABJBSA-N. The full InChI is InChI=1S/C30H39F2N3O2.C30H39FN2O3.C29H37FN2O3.C28H35FN2O4/c1-3-34-17-19-35(20-18-34)29(37)27(33-28(36)23-10-14-25(32)15-11-23)7-5-4-6-16-30(2)21-26(30)22-8-12-24(31)13-9-22;1-30(21-26(30)22-12-16-25(36-2)17-13-22)18-6-3-5-9-27(29(35)33-19-7-4-8-20-33)32-28(34)23-10-14-24(31)15-11-23;1-35-25-16-12-21(13-17-25)26-20-23(26)8-4-2-5-9-27(29(34)32-18-6-3-7-19-32)31-28(33)22-10-14-24(30)15-11-22;1-28(18-24(28)20-8-12-23(34-2)13-9-20)14-5-17-35-19-25(27(33)31-15-3-4-16-31)30-26(32)21-6-10-22(29)11-7-21/h8-15,26-27H,3-7,16-21H2,1-2H3,(H,33,36);10-17,26-27H,3-9,18-21H2,1-2H3,(H,32,34);10-17,23,26-27H,2-9,18-20H2,1H3,(H,31,33);6-13,24-25H,3-5,14-19H2,1-2H3,(H,30,32)/t2*26-,27-,30?;23?,26-,27-;24-,25-,28?/m0000/s1.

What are the key properties of N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide?

N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide has a molecular weight of 1969.53 g/mol, XLogP of 21.71, 44 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(4-ethylpiperazin-1-yl)-7-[(2R)-2-(4-fluorophenyl)-1-methylcyclopropyl]-1-oxoheptan-2-yl]-4-fluorobenzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)cyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-7-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]-1-oxo-1-piperidin-1-ylheptan-2-yl]benzamide;4-fluoro-N-[(2S)-3-[3-[(2R)-2-(4-methoxyphenyl)-1-methylcyclopropyl]propoxy]-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 161483732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).