[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

C24H25N3O3 — CID 162633123

IUPAC[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCOc1cnccc1-c1ccc(C(=O)N2CCCC(OCc3ccccn3)C2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-23-15-25-13-11-22(23)18-7-9-19(10-8-18)24(28)27-14-4-6-21(16-27)30-17-20-5-2-3-12-26-20/h2-3,5,7-13,15,21H,4,6,14,16-17H2,1H3
InChIKeyNSDRTIMXGRYHII-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.97
Rot. Bonds6

About [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone

[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (PubChem CID 162633123) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
PubChem CID162633123
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
SMILESCOc1cnccc1-c1ccc(C(=O)N2CCCC(OCc3ccccn3)C2)cc1
InChIInChI=1S/C24H25N3O3/c1-29-23-15-25-13-11-22(23)18-7-9-19(10-8-18)24(28)27-14-4-6-21(16-27)30-17-20-5-2-3-12-26-20/h2-3,5,7-13,15,21H,4,6,14,16-17H2,1H3
InChIKeyNSDRTIMXGRYHII-UHFFFAOYSA-N
XLogP3.97
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone with MolForge

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Related Compounds

[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 91770782
(3-ethoxypiperidin-1-yl)-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 71998730
1-[2-[3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]phenyl]ethanone
CID 91766002
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
(2-methylsulfanyl-3-pyridinyl)-[(3R)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96576382
[5-(methoxymethyl)furan-2-yl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 70711514
2-methyl-6-[(3S)-3-(pyridin-2-ylmethoxy)piperidine-1-carbonyl]pyran-4-one
CID 99929823
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
(5-cyclohexyl-1H-pyrazol-4-yl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 97137325
(3-pyrazol-1-ylphenyl)-[(3S)-3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 96578119
[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]-[(3R)-3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]methanone
CID 96542506
[3-(pyridin-2-ylmethoxy)piperidin-1-yl]-(4,5,6,7-tetrahydro-2-benzothiophen-1-yl)methanone
CID 91781327

Frequently Asked Questions

What is the IUPAC name of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The IUPAC name of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone (CID 162633123) is [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The canonical SMILES for [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is COc1cnccc1-c1ccc(C(=O)N2CCCC(OCc3ccccn3)C2)cc1.
What is the InChIKey of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
The InChIKey is NSDRTIMXGRYHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-29-23-15-25-13-11-22(23)18-7-9-19(10-8-18)24(28)27-14-4-6-21(16-27)30-17-20-5-2-3-12-26-20/h2-3,5,7-13,15,21H,4,6,14,16-17H2,1H3.
What are the key properties of [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone?
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone has a molecular weight of 403.48 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methoxy-4-pyridinyl)phenyl]-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 162633123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).