2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid

C28H28N2O3 — CID 118522148

IUPAC2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESC[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCC(N2C(=O)C(CC(=O)O)c3ccccc32)CC1
InChIInChI=1S/C28H28N2O3/c1-17-20-9-4-6-18-7-5-10-22(26(18)20)27(17)29-14-12-19(13-15-29)30-24-11-3-2-8-21(24)23(28(30)33)16-25(31)32/h2-11,17,19,23,27H,12-16H2,1H3,(H,31,32)/t17-,23?,27+/m1/s1
InChIKeyUPAMUKNPIHDKDF-HASAFONSSA-N
MW440.54 g/mol
LogP5.07
Rot. Bonds4

About 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid

2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid (PubChem CID 118522148) has the molecular formula C28H28N2O3 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid
PubChem CID118522148
Molecular FormulaC28H28N2O3
Molecular Weight440.54 g/mol
Exact Mass440.21
IUPAC Name2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid
SMILESC[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCC(N2C(=O)C(CC(=O)O)c3ccccc32)CC1
InChIInChI=1S/C28H28N2O3/c1-17-20-9-4-6-18-7-5-10-22(26(18)20)27(17)29-14-12-19(13-15-29)30-24-11-3-2-8-21(24)23(28(30)33)16-25(31)32/h2-11,17,19,23,27H,12-16H2,1H3,(H,31,32)/t17-,23?,27+/m1/s1
InChIKeyUPAMUKNPIHDKDF-HASAFONSSA-N
XLogP5.07
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.54
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid (CID 118522148) is 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid is C[C@@H]1c2cccc3cccc(c23)[C@H]1N1CCC(N2C(=O)C(CC(=O)O)c3ccccc32)CC1.
What is the InChIKey of 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid?
The InChIKey is UPAMUKNPIHDKDF-HASAFONSSA-N. The full InChI is InChI=1S/C28H28N2O3/c1-17-20-9-4-6-18-7-5-10-22(26(18)20)27(17)29-14-12-19(13-15-29)30-24-11-3-2-8-21(24)23(28(30)33)16-25(31)32/h2-11,17,19,23,27H,12-16H2,1H3,(H,31,32)/t17-,23?,27+/m1/s1.
What are the key properties of 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid?
2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid has a molecular weight of 440.54 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-[(1S,2R)-2-methyl-1,2-dihydroacenaphthylen-1-yl]piperidin-4-yl]-2-oxo-3H-indol-3-yl]acetic acid is sourced from PubChem (CID 118522148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).