(2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone

C27H32Cl3N3O — CID 59265745

About (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone

(2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone (PubChem CID 59265745) has the molecular formula C27H32Cl3N3O and a molecular weight of 520.93 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone
• PubChem CID: 59265745
• Molecular Formula: C27H32Cl3N3O
• Molecular Weight: 520.93 g/mol
• Exact Mass: 519.16
• IUPAC Name: (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccnc(Cl)c1)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)C3(CCCC3)C2)CC1
• InChI: InChI=1S/C27H32Cl3N3O/c28-23-4-3-19(16-24(23)29)15-21-6-12-33(18-27(21)9-1-2-10-27)22-7-13-32(14-8-22)26(34)20-5-11-31-25(30)17-20/h3-5,11,16-17,21-22H,1-2,6-10,12-15,18H2
• InChIKey: LQPIQCIWNZKTJR-UHFFFAOYSA-N
• XLogP: 6.77
• TPSA: 36.44 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.93
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone?

The IUPAC name of (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone (CID 59265745) is (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone?

The canonical SMILES for (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone is O=C(c1ccnc(Cl)c1)N1CCC(N2CCC(Cc3ccc(Cl)c(Cl)c3)C3(CCCC3)C2)CC1.

What is the InChIKey of (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone?

The InChIKey is LQPIQCIWNZKTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32Cl3N3O/c28-23-4-3-19(16-24(23)29)15-21-6-12-33(18-27(21)9-1-2-10-27)22-7-13-32(14-8-22)26(34)20-5-11-31-25(30)17-20/h3-5,11,16-17,21-22H,1-2,6-10,12-15,18H2.

What are the key properties of (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone?

(2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone has a molecular weight of 520.93 g/mol, XLogP of 6.77, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2-chloro-4-pyridinyl)-[4-[10-[(3,4-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-7-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 59265745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).