ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid

C23H27NO5 — CID 135312522

IUPACethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid
SMILESCCOC(=O)C(c1ccccc1)N1CCC(=O)CC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C15H19NO3.C8H8O2/c1-2-19-15(18)14(12-6-4-3-5-7-12)16-10-8-13(17)9-11-16;9-8(10)6-7-4-2-1-3-5-7/h3-7,14H,2,8-11H2,1H3;1-5H,6H2,(H,9,10)
InChIKeyDXBJOLJFGGEZDC-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.27
Rot. Bonds6

About ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid

ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid (PubChem CID 135312522) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid.

Molecular Properties

Compound Nameethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid
PubChem CID135312522
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Nameethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid
SMILESCCOC(=O)C(c1ccccc1)N1CCC(=O)CC1.O=C(O)Cc1ccccc1
InChIInChI=1S/C15H19NO3.C8H8O2/c1-2-19-15(18)14(12-6-4-3-5-7-12)16-10-8-13(17)9-11-16;9-8(10)6-7-4-2-1-3-5-7/h3-7,14H,2,8-11H2,1H3;1-5H,6H2,(H,9,10)
InChIKeyDXBJOLJFGGEZDC-UHFFFAOYSA-N
XLogP3.27
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-phenyl-2-(4-propan-2-ylpiperidin-1-yl)acetate
CID 106677310
ethyl 2-(4-benzylpiperazin-1-yl)-2-(4-phenylphenyl)acetate
CID 121454645
ethyl 2-(4-methyl-1,4-diazepan-1-yl)-2-phenylacetate
CID 103600878
propyl (2S)-2-phenyl-2-piperidin-1-ylacetate
CID 97355368
benzyl 2-(4-methylpiperazin-1-yl)-2-phenylacetate
CID 66648860
ethyl (2R)-2-(4-chlorophenyl)-2-pyrrolidin-1-ylacetate
CID 162420045
ethyl carbamate;2-phenylacetic acid
CID 153376104
benzyl 2-(4-oxopiperidin-1-yl)propanoate
CID 82342726
2-(4-methylphenyl)-2-(4-oxopiperidin-1-yl)acetic acid
CID 84746485
ethyl 2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-phenylacetate
CID 103715635
ethyl 2-(3-methylphenyl)-2-piperidin-1-ylacetate
CID 154339039
ethyl (2S)-2-phenyl-2-[(3S)-3-sulfamoylpiperidin-1-yl]acetate
CID 124740002

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid?
The IUPAC name of ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid (CID 135312522) is ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid.
What is the SMILES notation for ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid?
The canonical SMILES for ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid is CCOC(=O)C(c1ccccc1)N1CCC(=O)CC1.O=C(O)Cc1ccccc1.
What is the InChIKey of ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid?
The InChIKey is DXBJOLJFGGEZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3.C8H8O2/c1-2-19-15(18)14(12-6-4-3-5-7-12)16-10-8-13(17)9-11-16;9-8(10)6-7-4-2-1-3-5-7/h3-7,14H,2,8-11H2,1H3;1-5H,6H2,(H,9,10).
What are the key properties of ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid?
ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid has a molecular weight of 397.47 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-oxopiperidin-1-yl)-2-phenylacetate;2-phenylacetic acid is sourced from PubChem (CID 135312522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).