(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone

C19H21NO2 — CID 110725293

IUPAC(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
SMILESCOC1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H21NO2/c1-22-18-10-12-20(13-11-18)19(21)17-9-5-8-16(14-17)15-6-3-2-4-7-15/h2-9,14,18H,10-13H2,1H3
InChIKeyNMWXVQWCBIIYTC-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.60
Rot. Bonds3

About (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone

(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone (PubChem CID 110725293) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
PubChem CID110725293
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
SMILESCOC1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1
InChIInChI=1S/C19H21NO2/c1-22-18-10-12-20(13-11-18)19(21)17-9-5-8-16(14-17)15-6-3-2-4-7-15/h2-9,14,18H,10-13H2,1H3
InChIKeyNMWXVQWCBIIYTC-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
CID 110755413
[4-(3-methoxyphenyl)phenyl]-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616349
(3-iodophenyl)-[4-(4-methoxypiperidin-1-yl)piperidin-1-yl]methanone
CID 90616553
2-(4-methoxypiperidine-1-carbonyl)benzoic acid
CID 43372663
(3,5-dihydroxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 113355600
(3,4-dimethoxyphenyl)-(4-methoxypiperidin-1-yl)methanone
CID 110725273
(3-fluorophenyl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110365297
(1-oxo-1,4-thiazinan-4-yl)-(3-phenylphenyl)methanone
CID 110721543
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
cyclobutyl-[4-(3-phenylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110798986
4-[3-(4-methylpiperidine-1-carbonyl)phenyl]benzamide
CID 126484492
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609

Frequently Asked Questions

What is the IUPAC name of (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone?
The IUPAC name of (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone (CID 110725293) is (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone.
What is the SMILES notation for (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone?
The canonical SMILES for (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone is COC1CCN(C(=O)c2cccc(-c3ccccc3)c2)CC1.
What is the InChIKey of (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone?
The InChIKey is NMWXVQWCBIIYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-22-18-10-12-20(13-11-18)19(21)17-9-5-8-16(14-17)15-6-3-2-4-7-15/h2-9,14,18H,10-13H2,1H3.
What are the key properties of (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone?
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone has a molecular weight of 295.38 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone is sourced from PubChem (CID 110725293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).