N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide

C21H27N3O4 — CID 108558510

IUPACN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H27N3O4/c1-14(2)19(26)22-15-9-12-23(13-10-15)18(25)8-5-11-24-20(27)16-6-3-4-7-17(16)21(24)28/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,22,26)
InChIKeyCXNXDTOPKKWFAX-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.83
Rot. Bonds6

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

N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 108558510) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID108558510
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C21H27N3O4/c1-14(2)19(26)22-15-9-12-23(13-10-15)18(25)8-5-11-24-20(27)16-6-3-4-7-17(16)21(24)28/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,22,26)
InChIKeyCXNXDTOPKKWFAX-UHFFFAOYSA-N
XLogP1.83
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548744
N-[1-(3-chloropropanoyl)piperidin-4-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 108562077
2-[4-(4-methoxypiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 110725297
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
CID 108550367
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
2-(1,3-dioxoisoindol-2-yl)-N-[1-(4-oxopentanoyl)piperidin-4-yl]propanamide
CID 108551680
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]butane-1-sulfonamide
CID 108566307
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
2-(4-oxo-4-piperidin-1-ylbutyl)isoindole-1,3-dione
CID 802386
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
N-[1-[2-(2-chlorophenyl)acetyl]piperidin-4-yl]-2-methylpropanamide
CID 110822854
1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 37364092

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide (CID 108558510) is N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(C(=O)CCCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is CXNXDTOPKKWFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14(2)19(26)22-15-9-12-23(13-10-15)18(25)8-5-11-24-20(27)16-6-3-4-7-17(16)21(24)28/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,22,26).
What are the key properties of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide?
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 385.46 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 108558510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).