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

C19H21NO4 — CID 119178087

IUPAC2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H21NO4/c21-18(20-9-7-14(8-10-20)11-19(22)23)13-24-17-6-5-15-3-1-2-4-16(15)12-17/h1-6,12,14H,7-11,13H2,(H,22,23)
InChIKeyGTLVAWOVIYOVFI-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.93
Rot. Bonds5

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

2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid (PubChem CID 119178087) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
PubChem CID119178087
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)COc2ccc3ccccc3c2)CC1
InChIInChI=1S/C19H21NO4/c21-18(20-9-7-14(8-10-20)11-19(22)23)13-24-17-6-5-15-3-1-2-4-16(15)12-17/h1-6,12,14H,7-11,13H2,(H,22,23)
InChIKeyGTLVAWOVIYOVFI-UHFFFAOYSA-N
XLogP2.93
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(3-chlorophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 78979812
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
2-[1-[2-(3-nitrophenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119177958
2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
CID 119178286
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
CID 2880120
2-naphthalen-2-yloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119400066
2-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]acetic acid
CID 119163920
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
2-naphthalen-2-yloxy-1-[3-(2H-tetrazol-5-ylmethyl)pyrrolidin-1-yl]ethanone
CID 167876282
ethyl 4-(2-naphthalen-2-yloxyacetyl)piperazine-1-carboxylate
CID 846270
4-[4-(2-naphthalen-2-yloxyacetyl)piperazin-1-yl]-4-oxobutanoate
CID 2050458

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid (CID 119178087) is 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)COc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid?
The InChIKey is GTLVAWOVIYOVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-18(20-9-7-14(8-10-20)11-19(22)23)13-24-17-6-5-15-3-1-2-4-16(15)12-17/h1-6,12,14H,7-11,13H2,(H,22,23).
What are the key properties of 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid?
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid has a molecular weight of 327.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).