[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate

C20H22N2O3 — CID 15055617

IUPAC[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C20H22N2O3/c1-16(23)25-20(17-7-3-2-4-8-17)10-13-22(14-11-20)19(24)15-18-9-5-6-12-21-18/h2-9,12H,10-11,13-15H2,1H3
InChIKeyXSLRCBMGAJPOTH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.71
Rot. Bonds4

About [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate

[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate (PubChem CID 15055617) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate.

Molecular Properties

Compound Name[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
PubChem CID15055617
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate
SMILESCC(=O)OC1(c2ccccc2)CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C20H22N2O3/c1-16(23)25-20(17-7-3-2-4-8-17)10-13-22(14-11-20)19(24)15-18-9-5-6-12-21-18/h2-9,12H,10-11,13-15H2,1H3
InChIKeyXSLRCBMGAJPOTH-UHFFFAOYSA-N
XLogP2.71
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-hydroxy-4,4-dimethylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 115276738
3-propyl-1-(2-pyridin-2-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63145188
1-(2-oxa-7-azaspiro[3.5]nonan-7-yl)-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155824350
8-(2-pyridin-2-ylacetyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62848964
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
(4S)-4-phenyl-8-(2-pyridin-2-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452786
2-pyridin-2-yl-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110696951
1-(3-methylpiperidin-1-yl)-2-pyridin-2-ylethanone
CID 110696959
N,N-dimethyl-4-[(4-phenylphenyl)methyl]-1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 155982870
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 70723407
1-(3,4-dihydroxypyrrolidin-1-yl)-2-pyridin-2-ylethanone
CID 106671158
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934

Frequently Asked Questions

What is the IUPAC name of [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate?
The IUPAC name of [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate (CID 15055617) is [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate.
What is the SMILES notation for [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate?
The canonical SMILES for [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate is CC(=O)OC1(c2ccccc2)CCN(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate?
The InChIKey is XSLRCBMGAJPOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-16(23)25-20(17-7-3-2-4-8-17)10-13-22(14-11-20)19(24)15-18-9-5-6-12-21-18/h2-9,12H,10-11,13-15H2,1H3.
What are the key properties of [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate?
[4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate has a molecular weight of 338.41 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-phenyl-1-(2-pyridin-2-ylacetyl)piperidin-4-yl] acetate is sourced from PubChem (CID 15055617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).