1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone

C19H22N2O2 — CID 70721630

IUPAC1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-19(13-17-7-4-10-20-14-17)21-11-8-18(9-12-21)23-15-16-5-2-1-3-6-16/h1-7,10,14,18H,8-9,11-13,15H2
InChIKeyGUQYXXMEEYJKSC-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.83
Rot. Bonds5

About 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone

1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone (PubChem CID 70721630) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
PubChem CID70721630
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Name1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)N1CCC(OCc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2/c22-19(13-17-7-4-10-20-14-17)21-11-8-18(9-12-21)23-15-16-5-2-1-3-6-16/h1-7,10,14,18H,8-9,11-13,15H2
InChIKeyGUQYXXMEEYJKSC-UHFFFAOYSA-N
XLogP2.83
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-hydroxyphenyl)-1-(4-phenylmethoxypiperidin-1-yl)ethanone
CID 78828531
1-(4-phenylmethoxypiperidin-1-yl)-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 55623292
4-(4-phenylmethoxypiperidine-1-carbonyl)-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 131915998
1-cyclohexyl-6-phenylmethoxy-4-(2-pyridin-3-ylacetyl)-1,4-diazepan-2-one
CID 45165380
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
(2-morpholin-4-ylphenyl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 131927908
3-(1H-benzimidazol-2-yl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70764362
1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 100753789
[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 90649817
(5-phenyl-1,2-oxazol-3-yl)-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70742097
1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]-4-thiophen-2-ylbutan-1-one
CID 70761084
(4-phenylmethoxypiperidin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 47044991

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone (CID 70721630) is 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)N1CCC(OCc2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone?
The InChIKey is GUQYXXMEEYJKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c22-19(13-17-7-4-10-20-14-17)21-11-8-18(9-12-21)23-15-16-5-2-1-3-6-16/h1-7,10,14,18H,8-9,11-13,15H2.
What are the key properties of 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone?
1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone has a molecular weight of 310.40 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxypiperidin-1-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 70721630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).