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

C28H35N3O2 — CID 86304160

IUPACN-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
SMILESCNC(=O)C[C@@]1(C)C(=O)N(C2CCN([C@@]3(C)CCCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C28H35N3O2/c1-27(19-25(32)29-3)23-12-6-7-13-24(23)31(26(27)33)21-14-17-30(18-15-21)28(2)16-8-10-20-9-4-5-11-22(20)28/h4-7,9,11-13,21H,8,10,14-19H2,1-3H3,(H,29,32)/t27-,28+/m1/s1
InChIKeyFXYDSAGNANGHAJ-IZLXSDGUSA-N
MW445.61 g/mol
LogP4.14
Rot. Bonds4

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

N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide (PubChem CID 86304160) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
PubChem CID86304160
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC NameN-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
SMILESCNC(=O)C[C@@]1(C)C(=O)N(C2CCN([C@@]3(C)CCCc4ccccc43)CC2)c2ccccc21
InChIInChI=1S/C28H35N3O2/c1-27(19-25(32)29-3)23-12-6-7-13-24(23)31(26(27)33)21-14-17-30(18-15-21)28(2)16-8-10-20-9-4-5-11-22(20)28/h4-7,9,11-13,21H,8,10,14-19H2,1-3H3,(H,29,32)/t27-,28+/m1/s1
InChIKeyFXYDSAGNANGHAJ-IZLXSDGUSA-N
XLogP4.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.61
LogP ≤ 54.14
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-3,4-dihydro-2H-naphthalen-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-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide (CID 86304160) is N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-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-3,4-dihydro-2H-naphthalen-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-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide is CNC(=O)C[C@@]1(C)C(=O)N(C2CCN([C@@]3(C)CCCc4ccccc43)CC2)c2ccccc21.
What is the InChIKey of N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide?
The InChIKey is FXYDSAGNANGHAJ-IZLXSDGUSA-N. The full InChI is InChI=1S/C28H35N3O2/c1-27(19-25(32)29-3)23-12-6-7-13-24(23)31(26(27)33)21-14-17-30(18-15-21)28(2)16-8-10-20-9-4-5-11-22(20)28/h4-7,9,11-13,21H,8,10,14-19H2,1-3H3,(H,29,32)/t27-,28+/m1/s1.
What are the key properties of N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide?
N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide has a molecular weight of 445.61 g/mol, XLogP of 4.14, 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-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide is sourced from PubChem (CID 86304160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).