N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide

C21H21N3O5 — CID 108550045

IUPACN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1ccco1
InChIInChI=1S/C21H21N3O5/c25-18(9-12-24-20(27)15-4-1-2-5-16(15)21(24)28)23-10-7-14(8-11-23)22-19(26)17-6-3-13-29-17/h1-6,13-14H,7-12H2,(H,22,26)
InChIKeyCXKYFQNMELAJLG-UHFFFAOYSA-N
MW395.42 g/mol
LogP1.69
Rot. Bonds5

About N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide

N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide (PubChem CID 108550045) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
PubChem CID108550045
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC NameN-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide
SMILESO=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1ccco1
InChIInChI=1S/C21H21N3O5/c25-18(9-12-24-20(27)15-4-1-2-5-16(15)21(24)28)23-10-7-14(8-11-23)22-19(26)17-6-3-13-29-17/h1-6,13-14H,7-12H2,(H,22,26)
InChIKeyCXKYFQNMELAJLG-UHFFFAOYSA-N
XLogP1.69
TPSA99.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.69
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

N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558162
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 108556376
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]butanamide
CID 108564718
N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]furan-2-carboxamide
CID 108550086
N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]furan-2-carboxamide
CID 108550040
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
N-[3-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-3-oxopropyl]furan-2-carboxamide
CID 39510053
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548744
2-[3-[4-(dimethylsulfamoylamino)piperidin-1-yl]-3-oxopropyl]-1,3-dioxoisoindole
CID 108564716

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide (CID 108550045) is N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide is O=C(NC1CCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1)c1ccco1.
What is the InChIKey of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
The InChIKey is CXKYFQNMELAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c25-18(9-12-24-20(27)15-4-1-2-5-16(15)21(24)28)23-10-7-14(8-11-23)22-19(26)17-6-3-13-29-17/h1-6,13-14H,7-12H2,(H,22,26).
What are the key properties of N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide?
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]furan-2-carboxamide is sourced from PubChem (CID 108550045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).