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

C25H27N3O5 — CID 108550367

IUPACN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C25H27N3O5/c1-33-19-7-4-6-17(16-19)23(30)26-18-11-14-27(15-12-18)22(29)10-5-13-28-24(31)20-8-2-3-9-21(20)25(28)32/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,26,30)
InChIKeyIWDCSZFNGXUBKW-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.49
Rot. Bonds7

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

N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide (PubChem CID 108550367) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
PubChem CID108550367
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c1
InChIInChI=1S/C25H27N3O5/c1-33-19-7-4-6-17(16-19)23(30)26-18-11-14-27(15-12-18)22(29)10-5-13-28-24(31)20-8-2-3-9-21(20)25(28)32/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,26,30)
InChIKeyIWDCSZFNGXUBKW-UHFFFAOYSA-N
XLogP2.49
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.49
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

3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]benzamide
CID 108555965
[3-[[1-[4-(5-nitro-1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]carbamoyl]phenyl] acetate
CID 108927451
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-2-methylpropanamide
CID 108558510
2-[3-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 108534205
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110822246
2-(3-methoxypropyl)-1,3-dioxo-N-(1-pentanoylpiperidin-4-yl)isoindole-5-carboxamide
CID 108551812
N-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]benzamide
CID 24575446
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558162
3-methoxy-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108550372
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]-2,2,2-trifluoroacetamide
CID 108548744

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide?
The IUPAC name of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide (CID 108550367) is N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide?
The canonical SMILES for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2CCN(C(=O)CCCN3C(=O)c4ccccc4C3=O)CC2)c1.
What is the InChIKey of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide?
The InChIKey is IWDCSZFNGXUBKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-33-19-7-4-6-17(16-19)23(30)26-18-11-14-27(15-12-18)22(29)10-5-13-28-24(31)20-8-2-3-9-21(20)25(28)32/h2-4,6-9,16,18H,5,10-15H2,1H3,(H,26,30).
What are the key properties of N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide?
N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide has a molecular weight of 449.51 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(1,3-dioxoisoindol-2-yl)butanoyl]piperidin-4-yl]-3-methoxybenzamide is sourced from PubChem (CID 108550367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).