(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone

C20H24N2O3 — CID 71863399

IUPAC(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCCOc1cccnc1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-2-24-18-9-6-12-21-19(18)20(23)22-13-10-17(11-14-22)25-15-16-7-4-3-5-8-16/h3-9,12,17H,2,10-11,13-15H2,1H3
InChIKeyQSABJANXGNGDKB-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.30
Rot. Bonds6

About (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone

(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone (PubChem CID 71863399) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
PubChem CID71863399
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone
SMILESCCOc1cccnc1C(=O)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C20H24N2O3/c1-2-24-18-9-6-12-21-19(18)20(23)22-13-10-17(11-14-22)25-15-16-7-4-3-5-8-16/h3-9,12,17H,2,10-11,13-15H2,1H3
InChIKeyQSABJANXGNGDKB-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-ethoxy-2-pyridinyl)-[4-(N-methylanilino)piperidin-1-yl]methanone
CID 71979487
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
N,N-dimethyl-2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 46417857
N-methyl-4-phenylmethoxypiperidine-1-carboxamide
CID 131216132
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
(4-phenylmethoxypiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 70762006
(4-aminophenyl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 119697040
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
CID 70721630
(3-methyl-1-propylpyrazol-4-yl)-(4-phenylmethoxypiperidin-1-yl)methanone
CID 70752342
4-phenylmethoxyazepane-1-carboxylic acid
CID 77320736
[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]methanone
CID 126790879
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone;dihydrochloride
CID 119661860

Frequently Asked Questions

What is the IUPAC name of (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The IUPAC name of (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone (CID 71863399) is (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone.
What is the SMILES notation for (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The canonical SMILES for (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone is CCOc1cccnc1C(=O)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
The InChIKey is QSABJANXGNGDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-24-18-9-6-12-21-19(18)20(23)22-13-10-17(11-14-22)25-15-16-7-4-3-5-8-16/h3-9,12,17H,2,10-11,13-15H2,1H3.
What are the key properties of (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone?
(3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxy-2-pyridinyl)-(4-phenylmethoxypiperidin-1-yl)methanone is sourced from PubChem (CID 71863399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).