N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

C25H27N3O5 — CID 108551569

IUPACN-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)CC1
InChIInChI=1S/C25H27N3O5/c1-15(2)28-24(31)18-9-8-16(14-20(18)25(28)32)22(29)26-17-10-12-27(13-11-17)23(30)19-6-4-5-7-21(19)33-3/h4-9,14-15,17H,10-13H2,1-3H3,(H,26,29)
InChIKeyJCWMYZKVBYEGDW-UHFFFAOYSA-N
MW449.51 g/mol
LogP2.73
Rot. Bonds5

About N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide

N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (PubChem CID 108551569) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
PubChem CID108551569
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
SMILESCOc1ccccc1C(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)CC1
InChIInChI=1S/C25H27N3O5/c1-15(2)28-24(31)18-9-8-16(14-20(18)25(28)32)22(29)26-17-10-12-27(13-11-17)23(30)19-6-4-5-7-21(19)33-3/h4-9,14-15,17H,10-13H2,1-3H3,(H,26,29)
InChIKeyJCWMYZKVBYEGDW-UHFFFAOYSA-N
XLogP2.73
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.73
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-[2-[(2-methoxybenzoyl)amino]ethyl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108538038
3,5-dimethoxy-N-[1-(2-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108550564
2,2-dichloro-N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]acetamide
CID 108564460
3-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-1,1-dimethylurea
CID 108564466
tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916710
N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
CID 108549524
2-chloro-N-[1-(2-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108563596
2,6-dimethoxy-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108549795
3,4-dimethyl-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108557610
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108534422
1-cyclohexyl-3-[1-(2-methoxybenzoyl)piperidin-4-yl]urea
CID 127232346
N-[1-(2-methoxybenzoyl)piperidin-4-yl]thiophene-2-carboxamide
CID 110820518

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The IUPAC name of N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide (CID 108551569) is N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide.
What is the SMILES notation for N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The canonical SMILES for N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is COc1ccccc1C(=O)N1CCC(NC(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)CC1.
What is the InChIKey of N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
The InChIKey is JCWMYZKVBYEGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-15(2)28-24(31)18-9-8-16(14-20(18)25(28)32)22(29)26-17-10-12-27(13-11-17)23(30)19-6-4-5-7-21(19)33-3/h4-9,14-15,17H,10-13H2,1-3H3,(H,26,29).
What are the key properties of N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide?
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide is sourced from PubChem (CID 108551569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).