[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone

C20H24N2O3 — CID 126826318

IUPAC[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOCCOc1cccc(C(=O)N2CCCC(c3cccnc3)C2)c1
InChIInChI=1S/C20H24N2O3/c1-24-11-12-25-19-8-2-5-16(13-19)20(23)22-10-4-7-18(15-22)17-6-3-9-21-14-17/h2-3,5-6,8-9,13-14,18H,4,7,10-12,15H2,1H3
InChIKeyCVFTYZWUGRDYQR-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.13
Rot. Bonds6

About [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone

[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 126826318) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID126826318
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCOCCOc1cccc(C(=O)N2CCCC(c3cccnc3)C2)c1
InChIInChI=1S/C20H24N2O3/c1-24-11-12-25-19-8-2-5-16(13-19)20(23)22-10-4-7-18(15-22)17-6-3-9-21-14-17/h2-3,5-6,8-9,13-14,18H,4,7,10-12,15H2,1H3
InChIKeyCVFTYZWUGRDYQR-UHFFFAOYSA-N
XLogP3.13
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3-methoxyphenyl)-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 740543
[3-(methoxymethyl)phenyl]-[(3R)-3-phenylpiperidin-1-yl]methanone
CID 125171560
[(3R)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-[3-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124692147
(3-pyridin-3-ylpiperidin-1-yl)-(6-pyrrol-1-yl-3-pyridinyl)methanone
CID 154843398
1,4-diazepan-1-yl-[3-(2-methoxyethoxy)phenyl]methanone
CID 119414051
(3-ethoxyphenyl)-[3-(2-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 136540847
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 124589051
[3-[5-(2-methoxyethyl)-1H-1,2,4-triazol-3-yl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192150
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(3-methoxypropoxy)phenyl]methanone
CID 119484172
[3-(hydroxymethyl)-5-methylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 126818930
[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[3-(2-methoxyethoxy)phenyl]methanone
CID 95319434
[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 94979993

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone (CID 126826318) is [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone is COCCOc1cccc(C(=O)N2CCCC(c3cccnc3)C2)c1.
What is the InChIKey of [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is CVFTYZWUGRDYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-24-11-12-25-19-8-2-5-16(13-19)20(23)22-10-4-7-18(15-22)17-6-3-9-21-14-17/h2-3,5-6,8-9,13-14,18H,4,7,10-12,15H2,1H3.
What are the key properties of [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone?
[3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 3.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyethoxy)phenyl]-(3-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 126826318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).