2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid

C21H30N2O3 — CID 2738309

IUPAC2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(N3CCCCC3)cc2)CCCCC1
InChIInChI=1S/C21H30N2O3/c24-19(15-21(16-20(25)26)11-3-1-4-12-21)22-17-7-9-18(10-8-17)23-13-5-2-6-14-23/h7-10H,1-6,11-16H2,(H,22,24)(H,25,26)
InChIKeyDOPQLCXFLZJRBM-UHFFFAOYSA-N
MW358.48 g/mol
LogP4.43
Rot. Bonds6

About 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid

2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid (PubChem CID 2738309) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid
PubChem CID2738309
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1(CC(=O)Nc2ccc(N3CCCCC3)cc2)CCCCC1
InChIInChI=1S/C21H30N2O3/c24-19(15-21(16-20(25)26)11-3-1-4-12-21)22-17-7-9-18(10-8-17)23-13-5-2-6-14-23/h7-10H,1-6,11-16H2,(H,22,24)(H,25,26)
InChIKeyDOPQLCXFLZJRBM-UHFFFAOYSA-N
XLogP4.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid (CID 2738309) is 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid is O=C(O)CC1(CC(=O)Nc2ccc(N3CCCCC3)cc2)CCCCC1.
What is the InChIKey of 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid?
The InChIKey is DOPQLCXFLZJRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c24-19(15-21(16-20(25)26)11-3-1-4-12-21)22-17-7-9-18(10-8-17)23-13-5-2-6-14-23/h7-10H,1-6,11-16H2,(H,22,24)(H,25,26).
What are the key properties of 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid?
2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid has a molecular weight of 358.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]cyclohexyl]acetic acid is sourced from PubChem (CID 2738309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).