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

C22H29N3O4 — CID 108549524

IUPACN-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)CC1
InChIInChI=1S/C22H29N3O4/c1-13(2)11-19(26)23-16-7-9-24(10-8-16)20(27)15-5-6-17-18(12-15)22(29)25(14(3)4)21(17)28/h5-6,12-14,16H,7-11H2,1-4H3,(H,23,26)
InChIKeyRDWZZBPIHIQVCH-UHFFFAOYSA-N
MW399.49 g/mol
LogP2.46
Rot. Bonds5

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

N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide (PubChem CID 108549524) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
PubChem CID108549524
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)CC1
InChIInChI=1S/C22H29N3O4/c1-13(2)11-19(26)23-16-7-9-24(10-8-16)20(27)15-5-6-17-18(12-15)22(29)25(14(3)4)21(17)28/h5-6,12-14,16H,7-11H2,1-4H3,(H,23,26)
InChIKeyRDWZZBPIHIQVCH-UHFFFAOYSA-N
XLogP2.46
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 52.46
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

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
2-methylpropyl 4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazine-1-carboxylate
CID 108568215
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
N-[1-(4-acetamidobenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110822989
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866
5-(3-methoxypyrrolidine-1-carbonyl)-2-propan-2-ylisoindole-1,3-dione
CID 108754153
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-2-propan-2-ylisoindole-1,3-dione
CID 108533723
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-1,3-dioxo-2-propan-2-ylisoindole-5-carboxamide
CID 108551569
2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
CID 108557655
3-[4-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperazin-1-yl]-3-oxopropanenitrile
CID 108533025
tert-butyl N-[2-[4-[(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)amino]piperidin-1-yl]-2-oxoethyl]carbamate
CID 108916710

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide (CID 108549524) is N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(C(C)C)C3=O)CC1.
What is the InChIKey of N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide?
The InChIKey is RDWZZBPIHIQVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-13(2)11-19(26)23-16-7-9-24(10-8-16)20(27)15-5-6-17-18(12-15)22(29)25(14(3)4)21(17)28/h5-6,12-14,16H,7-11H2,1-4H3,(H,23,26).
What are the key properties of N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide?
N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide has a molecular weight of 399.49 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 108549524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).