N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide

C30H33N3O2 — CID 90270623

IUPACN-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
SMILESCNC(=O)C[C@@]1(C)C(=O)N(C2CCN([C@@]3(C)Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C30H33N3O2/c1-29(19-26(34)31-3)23-11-4-5-13-25(23)33(28(29)35)22-14-16-32(17-15-22)30(2)18-21-10-6-8-20-9-7-12-24(30)27(20)21/h4-13,22H,14-19H2,1-3H3,(H,31,34)/t29-,30+/m1/s1
InChIKeyMEOMHGYWRRGMEG-IHLOFXLRSA-N
MW467.61 g/mol
LogP4.52
Rot. Bonds4

About N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide

N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide (PubChem CID 90270623) has the molecular formula C30H33N3O2 and a molecular weight of 467.61 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
PubChem CID90270623
Molecular FormulaC30H33N3O2
Molecular Weight467.61 g/mol
Exact Mass467.26
IUPAC NameN-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
SMILESCNC(=O)C[C@@]1(C)C(=O)N(C2CCN([C@@]3(C)Cc4cccc5cccc3c45)CC2)c2ccccc21
InChIInChI=1S/C30H33N3O2/c1-29(19-26(34)31-3)23-11-4-5-13-25(23)33(28(29)35)22-14-16-32(17-15-22)30(2)18-21-10-6-8-20-9-7-12-24(30)27(20)21/h4-13,22H,14-19H2,1-3H3,(H,31,34)/t29-,30+/m1/s1
InChIKeyMEOMHGYWRRGMEG-IHLOFXLRSA-N
XLogP4.52
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.61
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide (CID 90270623) is N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide is CNC(=O)C[C@@]1(C)C(=O)N(C2CCN([C@@]3(C)Cc4cccc5cccc3c45)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide?
The InChIKey is MEOMHGYWRRGMEG-IHLOFXLRSA-N. The full InChI is InChI=1S/C30H33N3O2/c1-29(19-26(34)31-3)23-11-4-5-13-25(23)33(28(29)35)22-14-16-32(17-15-22)30(2)18-21-10-6-8-20-9-7-12-24(30)27(20)21/h4-13,22H,14-19H2,1-3H3,(H,31,34)/t29-,30+/m1/s1.
What are the key properties of N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide?
N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide has a molecular weight of 467.61 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide is sourced from PubChem (CID 90270623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).