2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid

C15H19NO3 — CID 28997512

IUPAC2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c17-14(10-12-4-2-1-3-5-12)16-8-6-13(7-9-16)11-15(18)19/h1-5,13H,6-11H2,(H,18,19)
InChIKeyAXFIYYFYQXDOIP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid

2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid (PubChem CID 28997512) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
PubChem CID28997512
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C15H19NO3/c17-14(10-12-4-2-1-3-5-12)16-8-6-13(7-9-16)11-15(18)19/h1-5,13H,6-11H2,(H,18,19)
InChIKeyAXFIYYFYQXDOIP-UHFFFAOYSA-N
XLogP1.94
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
2-[1-[2-(2,6-dimethylphenyl)acetyl]piperidin-4-yl]acetic acid
CID 120684687
2-phenyl-1-[4-[(4-phenylphenyl)methyl]piperidin-1-yl]ethanone
CID 24720516
2-[1-(3,4-diphenylbutanoyl)piperidin-4-yl]acetic acid
CID 119178891
1-(2-azaspiro[4.5]decan-2-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633604
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
2-[1-[2-(1,3-dioxoisoindol-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178372
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
2-phenyl-1-[4-(thiophen-2-ylmethyl)piperidin-1-yl]ethanone
CID 110289456

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid (CID 28997512) is 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid?
The InChIKey is AXFIYYFYQXDOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(10-12-4-2-1-3-5-12)16-8-6-13(7-9-16)11-15(18)19/h1-5,13H,6-11H2,(H,18,19).
What are the key properties of 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid?
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid has a molecular weight of 261.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 28997512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).