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

C17H21NO4 — CID 122107222

IUPAC2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2(Oc3ccccc3)CC2)CC1
InChIInChI=1S/C17H21NO4/c19-15(20)12-13-6-10-18(11-7-13)16(21)17(8-9-17)22-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20)
InChIKeyJLHVYXJYGWRIAO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.31
Rot. Bonds5

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

2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 122107222) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID122107222
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Name2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2(Oc3ccccc3)CC2)CC1
InChIInChI=1S/C17H21NO4/c19-15(20)12-13-6-10-18(11-7-13)16(21)17(8-9-17)22-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20)
InChIKeyJLHVYXJYGWRIAO-UHFFFAOYSA-N
XLogP2.31
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2-phenylacetyl)piperidin-4-yl]acetic acid
CID 28997512
2-[1-[4-(2-chlorophenyl)oxane-4-carbonyl]piperidin-4-yl]acetic acid
CID 119178898
2-[1-[2-(2-hydroxyphenyl)acetyl]piperidin-4-yl]acetic acid
CID 80741468
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
2-[1-[1-(aminomethyl)cycloheptanecarbonyl]piperidin-4-yl]acetic acid
CID 115444228
2-[1-[1-(4-bromophenyl)cyclopentanecarbonyl]piperidin-4-yl]acetic acid
CID 119177843
1-(1-phenoxycyclopropanecarbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122109235
(1-aminocyclopentyl)-[4-(phenoxymethyl)piperidin-1-yl]methanone
CID 119304906
2-[1-(1-ethylcyclobutanecarbonyl)piperidin-4-yl]acetic acid
CID 119178068
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
2-[1-(benzylcarbamoyl)piperidin-4-yl]acetic acid
CID 79608761
2-[1-[1-(3,5-dimethylphenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
CID 119178178

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid (CID 122107222) is 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2(Oc3ccccc3)CC2)CC1.
What is the InChIKey of 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is JLHVYXJYGWRIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c19-15(20)12-13-6-10-18(11-7-13)16(21)17(8-9-17)22-14-4-2-1-3-5-14/h1-5,13H,6-12H2,(H,19,20).
What are the key properties of 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid has a molecular weight of 303.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-phenoxycyclopropanecarbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 122107222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).