2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid

C20H23NO3 — CID 119178286

IUPAC2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H23NO3/c22-19(21-11-9-16(10-12-21)14-20(23)24)8-6-15-5-7-17-3-1-2-4-18(17)13-15/h1-5,7,13,16H,6,8-12,14H2,(H,23,24)
InChIKeyWTYMLTRHHHLUJG-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.49
Rot. Bonds5

About 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid

2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid (PubChem CID 119178286) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
PubChem CID119178286
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)CCc2ccc3ccccc3c2)CC1
InChIInChI=1S/C20H23NO3/c22-19(21-11-9-16(10-12-21)14-20(23)24)8-6-15-5-7-17-3-1-2-4-18(17)13-15/h1-5,7,13,16H,6,8-12,14H2,(H,23,24)
InChIKeyWTYMLTRHHHLUJG-UHFFFAOYSA-N
XLogP3.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
1-(4-benzylsulfonylpiperazin-1-yl)-3-naphthalen-2-ylpropan-1-one
CID 52687569
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
2-[1-[3-(1-methylpyrazol-4-yl)propanoyl]piperidin-4-yl]acetic acid
CID 119178287
3-(4-methoxyphenyl)-1-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]propan-1-one
CID 48873820
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
1-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-3-naphthalen-2-ylpropan-1-one;hydrochloride
CID 120749607
1-[4-(methylaminomethyl)piperidin-1-yl]-2-naphthalen-2-ylethanone;hydrochloride
CID 119542656
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 52687597
2-(3-naphthalen-2-ylpropanoyl)-4-oxo-1,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-6-carboxylic acid
CID 70069469
1-[3-(morpholine-4-carbonyl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 47059658

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid (CID 119178286) is 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)CCc2ccc3ccccc3c2)CC1.
What is the InChIKey of 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid?
The InChIKey is WTYMLTRHHHLUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c22-19(21-11-9-16(10-12-21)14-20(23)24)8-6-15-5-7-17-3-1-2-4-18(17)13-15/h1-5,7,13,16H,6,8-12,14H2,(H,23,24).
What are the key properties of 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid?
2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid has a molecular weight of 325.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-naphthalen-2-ylpropanoyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 119178286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).