N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide

C27H23N3O4 — CID 155354902

IUPACN-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide
SMILESC=C1CCC(N2Cc3c(CNC(=O)C(=O)c4ccc5ccccc5c4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C27H23N3O4/c1-16-9-12-23(25(32)29-16)30-15-22-20(7-4-8-21(22)27(30)34)14-28-26(33)24(31)19-11-10-17-5-2-3-6-18(17)13-19/h2-8,10-11,13,23H,1,9,12,14-15H2,(H,28,33)(H,29,32)
InChIKeyLPSNFKSFBFRYEH-UHFFFAOYSA-N
MW453.50 g/mol
LogP3.09
Rot. Bonds5

About N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide

N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide (PubChem CID 155354902) has the molecular formula C27H23N3O4 and a molecular weight of 453.50 g/mol. Its IUPAC name is N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide.

Molecular Properties

Compound NameN-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide
PubChem CID155354902
Molecular FormulaC27H23N3O4
Molecular Weight453.50 g/mol
Exact Mass453.17
IUPAC NameN-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide
SMILESC=C1CCC(N2Cc3c(CNC(=O)C(=O)c4ccc5ccccc5c4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C27H23N3O4/c1-16-9-12-23(25(32)29-16)30-15-22-20(7-4-8-21(22)27(30)34)14-28-26(33)24(31)19-11-10-17-5-2-3-6-18(17)13-19/h2-8,10-11,13,23H,1,9,12,14-15H2,(H,28,33)(H,29,32)
InChIKeyLPSNFKSFBFRYEH-UHFFFAOYSA-N
XLogP3.09
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-oxo-2-[4-(trifluoromethyl)phenyl]acetamide
CID 155316219
3-[7-[(iodoamino)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162724516
N-[[2-(2-methylidene-6-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]piperidine-4-carboxamide
CID 167471645
3-[7-[[[(1R,2R)-2-aminocyclopropyl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167721287
4-[(2-chlorophenyl)methoxy]-2-(6-methylidene-2-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 118118498
[1-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)-3-oxoisoindol-4-yl]methylcarbamic acid
CID 89387907
3-[7-[[(4-amino-2-methylidenebutyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167731522
3-[7-[[[5-(hydroxymethyl)azepan-4-yl]amino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167719809
2-(6-methylidene-2-oxopiperidin-3-yl)-4-(piperidin-4-ylamino)-3H-isoindol-1-one
CID 167471106
4-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]butanoic acid
CID 156735808
3-[3-oxo-7-(2-oxo-2-piperidin-1-ylethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171809534
3-[7-[[2-(azetidin-3-yl)ethylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167742706

Frequently Asked Questions

What is the IUPAC name of N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide?
The IUPAC name of N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide (CID 155354902) is N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide.
What is the SMILES notation for N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide?
The canonical SMILES for N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide is C=C1CCC(N2Cc3c(CNC(=O)C(=O)c4ccc5ccccc5c4)cccc3C2=O)C(=O)N1.
What is the InChIKey of N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide?
The InChIKey is LPSNFKSFBFRYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O4/c1-16-9-12-23(25(32)29-16)30-15-22-20(7-4-8-21(22)27(30)34)14-28-26(33)24(31)19-11-10-17-5-2-3-6-18(17)13-19/h2-8,10-11,13,23H,1,9,12,14-15H2,(H,28,33)(H,29,32).
What are the key properties of N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide?
N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide has a molecular weight of 453.50 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]methyl]-2-naphthalen-2-yl-2-oxoacetamide is sourced from PubChem (CID 155354902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).