[4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone

C19H20Cl3N3O — CID 10764188

IUPAC[4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(Cl)n2)CC1
InChIInChI=1S/C19H20Cl3N3O/c20-16-5-4-14(10-17(16)21)19(26)25-8-6-13(7-9-25)11-23-12-15-2-1-3-18(22)24-15/h1-5,10,13,23H,6-9,11-12H2
InChIKeyJDVIYNZAJBRAHN-UHFFFAOYSA-N
MW412.75 g/mol
LogP4.68
Rot. Bonds5

About [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone

[4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone (PubChem CID 10764188) has the molecular formula C19H20Cl3N3O and a molecular weight of 412.75 g/mol. Its IUPAC name is [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
PubChem CID10764188
Molecular FormulaC19H20Cl3N3O
Molecular Weight412.75 g/mol
Exact Mass411.07
IUPAC Name[4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(Cl)n2)CC1
InChIInChI=1S/C19H20Cl3N3O/c20-16-5-4-14(10-17(16)21)19(26)25-8-6-13(7-9-25)11-23-12-15-2-1-3-18(22)24-15/h1-5,10,13,23H,6-9,11-12H2
InChIKeyJDVIYNZAJBRAHN-UHFFFAOYSA-N
XLogP4.68
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.75
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone with MolForge

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Related Compounds

Befiradol
CID 9865384
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-(pyridin-2-yl)benzamide
CID 9826580
PG-01037
CID 11477180
3,4-Dichloro-N-pyridin-3-yl-benzamide
CID 762535
Pyridine amide, 9
CID 44237001
Pyridine amide, 27
CID 44237002
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
[4-[[[6-(Azetidin-1-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10025854
(3-Chlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10549236
(3,4-Dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10550047
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10670050
(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10789182

Frequently Asked Questions

What is the IUPAC name of [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The IUPAC name of [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone (CID 10764188) is [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone.
What is the SMILES notation for [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The canonical SMILES for [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(Cl)n2)CC1.
What is the InChIKey of [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
The InChIKey is JDVIYNZAJBRAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl3N3O/c20-16-5-4-14(10-17(16)21)19(26)25-8-6-13(7-9-25)11-23-12-15-2-1-3-18(22)24-15/h1-5,10,13,23H,6-9,11-12H2.
What are the key properties of [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone?
[4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone has a molecular weight of 412.75 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(6-chloro-2-pyridinyl)methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone is sourced from PubChem (CID 10764188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).