[3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone

C22H26ClN3O3 — CID 57393456

IUPAC[3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(C(OC2CN(C(=O)N3CCCCC3)C2)c2cccnc2Cl)c1
InChIInChI=1S/C22H26ClN3O3/c1-28-17-8-5-7-16(13-17)20(19-9-6-10-24-21(19)23)29-18-14-26(15-18)22(27)25-11-3-2-4-12-25/h5-10,13,18,20H,2-4,11-12,14-15H2,1H3
InChIKeyWPVRQOXZCVLZQE-UHFFFAOYSA-N
MW415.92 g/mol
LogP4.14
Rot. Bonds5

About [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone

[3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone (PubChem CID 57393456) has the molecular formula C22H26ClN3O3 and a molecular weight of 415.92 g/mol. Its IUPAC name is [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
PubChem CID57393456
Molecular FormulaC22H26ClN3O3
Molecular Weight415.92 g/mol
Exact Mass415.17
IUPAC Name[3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
SMILESCOc1cccc(C(OC2CN(C(=O)N3CCCCC3)C2)c2cccnc2Cl)c1
InChIInChI=1S/C22H26ClN3O3/c1-28-17-8-5-7-16(13-17)20(19-9-6-10-24-21(19)23)29-18-14-26(15-18)22(27)25-11-3-2-4-12-25/h5-10,13,18,20H,2-4,11-12,14-15H2,1H3
InChIKeyWPVRQOXZCVLZQE-UHFFFAOYSA-N
XLogP4.14
TPSA54.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.92
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-[1,3-Benzodioxol-5-yl-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone
CID 57391725
[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
[3-[(4-Chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]azetidin-1-yl]-(4-fluoropiperidin-1-yl)methanone
CID 57396514
N-benzyl-3-[(R)-(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-methylazetidine-1-carboxamide
CID 57396515
N-benzyl-3-[(S)-(4-chlorophenyl)-(2-chloro-3-pyridinyl)methoxy]-N-methylazetidine-1-carboxamide
CID 57396516

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone (CID 57393456) is [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone is COc1cccc(C(OC2CN(C(=O)N3CCCCC3)C2)c2cccnc2Cl)c1.
What is the InChIKey of [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is WPVRQOXZCVLZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O3/c1-28-17-8-5-7-16(13-17)20(19-9-6-10-24-21(19)23)29-18-14-26(15-18)22(27)25-11-3-2-4-12-25/h5-10,13,18,20H,2-4,11-12,14-15H2,1H3.
What are the key properties of [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone?
[3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 415.92 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-3-pyridinyl)-(3-methoxyphenyl)methoxy]azetidin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 57393456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).