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

C22H27N3O2 — CID 164699560

IUPAC[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCOc1cnccc1-c1ccc(C(=O)N2CC(N3CCCCC3C)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-5-3-4-12-25(16)19-14-24(15-19)22(26)18-8-6-17(7-9-18)20-10-11-23-13-21(20)27-2/h6-11,13,16,19H,3-5,12,14-15H2,1-2H3
InChIKeyMGRLMCYSBDCLFJ-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.46
Rot. Bonds4

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

[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (PubChem CID 164699560) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
PubChem CID164699560
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
SMILESCOc1cnccc1-c1ccc(C(=O)N2CC(N3CCCCC3C)C2)cc1
InChIInChI=1S/C22H27N3O2/c1-16-5-3-4-12-25(16)19-14-24(15-19)22(26)18-8-6-17(7-9-18)20-10-11-23-13-21(20)27-2/h6-11,13,16,19H,3-5,12,14-15H2,1-2H3
InChIKeyMGRLMCYSBDCLFJ-UHFFFAOYSA-N
XLogP3.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

formic acid;[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 171317439
[4-(3-methoxy-4-pyridinyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 162632308
[4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]phenyl]-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 126435260
6-[4-[3-[(2R)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]phenyl]pyridine-2-carbonitrile
CID 126452632
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 162633123
[3-(4-hydroxyphenyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 74246562
1-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]-2-pyridin-3-ylethanone
CID 96582023
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide
CID 163314602
2-(4-methylphenyl)-5-[3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carbonyl]-1H-pyrimidin-6-one
CID 97141903
N-isoquinolin-5-yl-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 97435446
(1-ethylindol-5-yl)-[3-[(2R)-2-methylpiperidin-1-yl]azetidin-1-yl]methanone
CID 125155690
[3-(2-amino-6-methylpyrimidin-4-yl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 119067455

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The IUPAC name of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone (CID 164699560) is [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The canonical SMILES for [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is COc1cnccc1-c1ccc(C(=O)N2CC(N3CCCCC3C)C2)cc1.
What is the InChIKey of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
The InChIKey is MGRLMCYSBDCLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-16-5-3-4-12-25(16)19-14-24(15-19)22(26)18-8-6-17(7-9-18)20-10-11-23-13-21(20)27-2/h6-11,13,16,19H,3-5,12,14-15H2,1-2H3.
What are the key properties of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone?
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone has a molecular weight of 365.48 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone is sourced from PubChem (CID 164699560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).