N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide

C110H130BrCl7N24O6 — CID 158760097

About N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide

N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide (PubChem CID 158760097) has the molecular formula C110H130BrCl7N24O6 and a molecular weight of 2212.49 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
• PubChem CID: 158760097
• Molecular Formula: C110H130BrCl7N24O6
• Molecular Weight: 2212.49 g/mol
• Exact Mass: 2206.76
• IUPAC Name: N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide
• SMILES: CC(CNC(=O)N1CCN(c2ncccc2Cl)CC1)c1ccccc1.Cc1ccc(CCNC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(N/C=C/c1ccccc1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCC1=CCCCC1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCc1ccc(Br)cc1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCc1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1
• InChI: InChI=1S/2C19H23ClN4O.C18H20BrClN4O.C18H20Cl2N4O.C18H25ClN4O.C18H19ClN4O/c1-15-4-6-16(7-5-15)8-10-22-19(25)24-13-11-23(12-14-24)18-17(20)3-2-9-21-18;1-15(16-6-3-2-4-7-16)14-22-19(25)24-12-10-23(11-13-24)18-17(20)8-5-9-21-18;19-15-5-3-14(4-6-15)7-9-22-18(25)24-12-10-23(11-13-24)17-16(20)2-1-8-21-17;19-15-4-1-3-14(13-15)6-8-22-18(25)24-11-9-23(10-12-24)17-16(20)5-2-7-21-17;2*19-16-7-4-9-20-17(16)22-11-13-23(14-12-22)18(24)21-10-8-15-5-2-1-3-6-15/h2-7,9H,8,10-14H2,1H3,(H,22,25);2-9,15H,10-14H2,1H3,(H,22,25);1-6,8H,7,9-13H2,(H,22,25);1-5,7,13H,6,8-12H2,(H,22,25);4-5,7,9H,1-3,6,8,10-14H2,(H,21,24);1-10H,11-14H2,(H,21,24)/b;;;;;10-8+
• InChIKey: IOODKLOIVIKTRR-CVWSVHGHSA-N
• XLogP: 20.22
• TPSA: 290.82 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 18
• Rotatable Bonds: 23
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2212.49
LogP ≤ 5	20.22
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?

The IUPAC name of N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide (CID 158760097) is N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide.

What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?

The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide is CC(CNC(=O)N1CCN(c2ncccc2Cl)CC1)c1ccccc1.Cc1ccc(CCNC(=O)N2CCN(c3ncccc3Cl)CC2)cc1.O=C(N/C=C/c1ccccc1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCC1=CCCCC1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCc1ccc(Br)cc1)N1CCN(c2ncccc2Cl)CC1.O=C(NCCc1cccc(Cl)c1)N1CCN(c2ncccc2Cl)CC1.

What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?

The InChIKey is IOODKLOIVIKTRR-CVWSVHGHSA-N. The full InChI is InChI=1S/2C19H23ClN4O.C18H20BrClN4O.C18H20Cl2N4O.C18H25ClN4O.C18H19ClN4O/c1-15-4-6-16(7-5-15)8-10-22-19(25)24-13-11-23(12-14-24)18-17(20)3-2-9-21-18;1-15(16-6-3-2-4-7-16)14-22-19(25)24-12-10-23(11-13-24)18-17(20)8-5-9-21-18;19-15-5-3-14(4-6-15)7-9-22-18(25)24-12-10-23(11-13-24)17-16(20)2-1-8-21-17;19-15-4-1-3-14(13-15)6-8-22-18(25)24-11-9-23(10-12-24)17-16(20)5-2-7-21-17;2*19-16-7-4-9-20-17(16)22-11-13-23(14-12-22)18(24)21-10-8-15-5-2-1-3-6-15/h2-7,9H,8,10-14H2,1H3,(H,22,25);2-9,15H,10-14H2,1H3,(H,22,25);1-6,8H,7,9-13H2,(H,22,25);1-5,7,13H,6,8-12H2,(H,22,25);4-5,7,9H,1-3,6,8,10-14H2,(H,21,24);1-10H,11-14H2,(H,21,24)/b;;;;;10-8+.

What are the key properties of N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide?

N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide has a molecular weight of 2212.49 g/mol, XLogP of 20.22, 23 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-bromophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;N-[2-(3-chlorophenyl)ethyl]-4-(3-chloro-2-pyridinyl)piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(cyclohexen-1-yl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-[(E)-2-phenylethenyl]piperazine-1-carboxamide;4-(3-chloro-2-pyridinyl)-N-(2-phenylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 158760097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).