3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine

C60H70Cl8N10O4 — CID 159716244

About 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine

3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine (PubChem CID 159716244) has the molecular formula C60H70Cl8N10O4 and a molecular weight of 1278.91 g/mol. Its IUPAC name is 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine.

Molecular Properties

• Compound Name: 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine
• PubChem CID: 159716244
• Molecular Formula: C60H70Cl8N10O4
• Molecular Weight: 1278.91 g/mol
• Exact Mass: 1274.31
• IUPAC Name: 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine
• SMILES: C1CCN(CCC2CCNCC2)CC1.Nc1cc(Cl)cnc1Cl.O=C(Nc1cc(Cl)cnc1Cl)c1cccc(Cl)c1.O=C(Nc1cc(Cl)cnc1N1CCC(CCN2CCCCC2)CC1)c1cccc(Cl)c1.O=C(O)c1cccc(Cl)c1
• InChI: InChI=1S/C24H30Cl2N4O.C12H7Cl3N2O.C12H24N2.C7H5ClO2.C5H4Cl2N2/c25-20-6-4-5-19(15-20)24(31)28-22-16-21(26)17-27-23(22)30-13-8-18(9-14-30)7-12-29-10-2-1-3-11-29;13-8-3-1-2-7(4-8)12(18)17-10-5-9(14)6-16-11(10)15;1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12;8-6-3-1-2-5(4-6)7(9)10;6-3-1-4(8)5(7)9-2-3/h4-6,15-18H,1-3,7-14H2,(H,28,31);1-6H,(H,17,18);12-13H,1-11H2;1-4H,(H,9,10);1-2H,8H2
• InChIKey: MZLVSZBEYIJMFC-UHFFFAOYSA-N
• XLogP: 15.90
• TPSA: 181.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 12
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1278.91
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine?

The IUPAC name of 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine (CID 159716244) is 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine.

What is the SMILES notation for 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine?

The canonical SMILES for 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine is C1CCN(CCC2CCNCC2)CC1.Nc1cc(Cl)cnc1Cl.O=C(Nc1cc(Cl)cnc1Cl)c1cccc(Cl)c1.O=C(Nc1cc(Cl)cnc1N1CCC(CCN2CCCCC2)CC1)c1cccc(Cl)c1.O=C(O)c1cccc(Cl)c1.

What is the InChIKey of 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine?

The InChIKey is MZLVSZBEYIJMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O.C12H7Cl3N2O.C12H24N2.C7H5ClO2.C5H4Cl2N2/c25-20-6-4-5-19(15-20)24(31)28-22-16-21(26)17-27-23(22)30-13-8-18(9-14-30)7-12-29-10-2-1-3-11-29;13-8-3-1-2-7(4-8)12(18)17-10-5-9(14)6-16-11(10)15;1-2-9-14(10-3-1)11-6-12-4-7-13-8-5-12;8-6-3-1-2-5(4-6)7(9)10;6-3-1-4(8)5(7)9-2-3/h4-6,15-18H,1-3,7-14H2,(H,28,31);1-6H,(H,17,18);12-13H,1-11H2;1-4H,(H,9,10);1-2H,8H2.

What are the key properties of 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine?

3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine has a molecular weight of 1278.91 g/mol, XLogP of 15.90, 12 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chlorobenzoic acid;3-chloro-N-[5-chloro-2-[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-3-pyridinyl]benzamide;3-chloro-N-(2,5-dichloro-3-pyridinyl)benzamide;2,5-dichloropyridin-3-amine;1-(2-piperidin-4-ylethyl)piperidine is sourced from PubChem (CID 159716244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).