[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone

C22H25Cl2N3O2 — CID 57400380

IUPAC[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)N1CC(OC(c2ccc(Cl)cc2)c2cccnc2Cl)C1
InChIInChI=1S/C22H25Cl2N3O2/c1-15-5-2-3-12-27(15)22(28)26-13-18(14-26)29-20(16-7-9-17(23)10-8-16)19-6-4-11-25-21(19)24/h4,6-11,15,18,20H,2-3,5,12-14H2,1H3
InChIKeyRAXGEMNHDSGMEN-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.17
Rot. Bonds4

About [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone

[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone (PubChem CID 57400380) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone
PubChem CID57400380
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)N1CC(OC(c2ccc(Cl)cc2)c2cccnc2Cl)C1
InChIInChI=1S/C22H25Cl2N3O2/c1-15-5-2-3-12-27(15)22(28)26-13-18(14-26)29-20(16-7-9-17(23)10-8-16)19-6-4-11-25-21(19)24/h4,6-11,15,18,20H,2-3,5,12-14H2,1H3
InChIKeyRAXGEMNHDSGMEN-UHFFFAOYSA-N
XLogP5.17
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbinoxamine
CID 2564
(S)-Carbinoxamine
CID 170336
Ver-156084
CID 44243144
(R)-{3-[(4-Chlorophenyl)-(2-chloropyridin-3-yl)methoxy]azetidin-1-yl}piperidin-1-ylmethanone
CID 44250208
[3-[(4-Chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 44482558
N-benzyl-3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-methylazetidine-1-carboxamide
CID 56950372
[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 57391264
[3-[(2-Chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57393456
[3-[(2-Chloro-3-pyridinyl)-(3,4-dichlorophenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57393458
[3-[(4-Chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone
CID 57393459
[3-[(2-Chloro-3-pyridinyl)-(4-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57395182
Azepan-1-yl-[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]methanone
CID 57395183

Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone (CID 57400380) is [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)N1CC(OC(c2ccc(Cl)cc2)c2cccnc2Cl)C1.
What is the InChIKey of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone?
The InChIKey is RAXGEMNHDSGMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-15-5-2-3-12-27(15)22(28)26-13-18(14-26)29-20(16-7-9-17(23)10-8-16)19-6-4-11-25-21(19)24/h4,6-11,15,18,20H,2-3,5,12-14H2,1H3.
What are the key properties of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone?
[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone has a molecular weight of 434.37 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 57400380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).