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

C17H21NO3 — CID 81368111

IUPAC2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H21NO3/c19-16(20)10-12-6-8-18(9-7-12)17(21)15-11-14(15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,19,20)
InChIKeyVHXUNGTXAGSDQV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.50
Rot. Bonds4

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

2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid (PubChem CID 81368111) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
PubChem CID81368111
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid
SMILESO=C(O)CC1CCN(C(=O)C2CC2c2ccccc2)CC1
InChIInChI=1S/C17H21NO3/c19-16(20)10-12-6-8-18(9-7-12)17(21)15-11-14(15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,19,20)
InChIKeyVHXUNGTXAGSDQV-UHFFFAOYSA-N
XLogP2.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[2-(2,6-difluorophenyl)cyclopropanecarbonyl]piperidin-4-yl]acetic acid
CID 119178221
[3-(aminomethyl)pyrrolidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81479336
2-[1-(4-phenylcyclohexanecarbonyl)piperidin-4-yl]acetic acid
CID 119178888
[(1S,2S)-2-phenylcyclopropyl]-piperazin-1-ylmethanone
CID 51893718
(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
[4-(1-aminoethyl)piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 81478205
(4-hydroxy-3-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 114501442
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507
[4-[[(3-methoxy-5-methylpyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135717
(3-bromo-4-methylpiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 102962104
N-[[1-[(2S)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-1,3-thiazole-4-carboxamide
CID 58933589
[4-[[(3-methoxypyrazin-2-yl)amino]methyl]piperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 22135736

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid?
The IUPAC name of 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid (CID 81368111) is 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid?
The canonical SMILES for 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid is O=C(O)CC1CCN(C(=O)C2CC2c2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid?
The InChIKey is VHXUNGTXAGSDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c19-16(20)10-12-6-8-18(9-7-12)17(21)15-11-14(15)13-4-2-1-3-5-13/h1-5,12,14-15H,6-11H2,(H,19,20).
What are the key properties of 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid?
2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid has a molecular weight of 287.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylcyclopropanecarbonyl)piperidin-4-yl]acetic acid is sourced from PubChem (CID 81368111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).