2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide

C21H24N4O4 — CID 108922121

IUPAC2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H24N4O4/c22-10-7-18(26)23-14-15-8-12-24(13-9-15)19(27)6-3-11-25-20(28)16-4-1-2-5-17(16)21(25)29/h1-2,4-5,15H,3,6-9,11-14H2,(H,23,26)
InChIKeyDYXFSMWZTHMBMY-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.33
Rot. Bonds7

About 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide

2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 108922121) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide
PubChem CID108922121
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide
SMILESN#CCC(=O)NCC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H24N4O4/c22-10-7-18(26)23-14-15-8-12-24(13-9-15)19(27)6-3-11-25-20(28)16-4-1-2-5-17(16)21(25)29/h1-2,4-5,15H,3,6-9,11-14H2,(H,23,26)
InChIKeyDYXFSMWZTHMBMY-UHFFFAOYSA-N
XLogP1.33
TPSA110.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
2-cyano-N-[[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]methyl]acetamide
CID 108922137
N-[[1-[2-(2-bromophenyl)acetyl]piperidin-4-yl]methyl]-2-cyanoacetamide
CID 108922201
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364092
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
N-[[1-(2-cyanoacetyl)piperidin-4-yl]methyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 108922004
2-cyano-N-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]methyl]acetamide
CID 108922213
4-(1,3-dioxoisoindol-2-yl)-N-[(1-phenylpyrrolidin-3-yl)methyl]butanamide
CID 110640326
methyl 4-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-1,4-diazepane-1-carboxylate
CID 110798997
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550367
2-[4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110867879

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide (CID 108922121) is 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide is N#CCC(=O)NCC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is DYXFSMWZTHMBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c22-10-7-18(26)23-14-15-8-12-24(13-9-15)19(27)6-3-11-25-20(28)16-4-1-2-5-17(16)21(25)29/h1-2,4-5,15H,3,6-9,11-14H2,(H,23,26).
What are the key properties of 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide?
2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 396.45 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108922121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).