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

C22H25Cl2N3O2 — CID 57393459

IUPAC[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CC(OC(c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1
InChIInChI=1S/C22H25Cl2N3O2/c1-15-4-3-11-26(12-15)22(28)27-13-18(14-27)29-20(16-6-8-17(23)9-7-16)19-5-2-10-25-21(19)24/h2,5-10,15,18,20H,3-4,11-14H2,1H3
InChIKeySYQGKQQDUZSDHW-UHFFFAOYSA-N
MW434.37 g/mol
LogP5.03
Rot. Bonds4

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

[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 57393459) 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]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID57393459
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCC1CCCN(C(=O)N2CC(OC(c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1
InChIInChI=1S/C22H25Cl2N3O2/c1-15-4-3-11-26(12-15)22(28)27-13-18(14-27)29-20(16-6-8-17(23)9-7-16)19-5-2-10-25-21(19)24/h2,5-10,15,18,20H,3-4,11-14H2,1H3
InChIKeySYQGKQQDUZSDHW-UHFFFAOYSA-N
XLogP5.03
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 ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone (CID 57393459) is [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone is CC1CCCN(C(=O)N2CC(OC(c3ccc(Cl)cc3)c3cccnc3Cl)C2)C1.
What is the InChIKey of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is SYQGKQQDUZSDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c1-15-4-3-11-26(12-15)22(28)27-13-18(14-27)29-20(16-6-8-17(23)9-7-16)19-5-2-10-25-21(19)24/h2,5-10,15,18,20H,3-4,11-14H2,1H3.
What are the key properties of [3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone?
[3-[(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 434.37 g/mol, XLogP of 5.03, 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]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 57393459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).