2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide

C26H29N3O4 — CID 108557655

IUPAC2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)CC1
InChIInChI=1S/C26H29N3O4/c1-16(2)15-29-25(32)21-9-8-18(14-22(21)26(29)33)24(31)28-12-10-19(11-13-28)27-23(30)20-7-5-4-6-17(20)3/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,27,30)
InChIKeyXEPDBYVUZKEZQS-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.28
Rot. Bonds5

About 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide

2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide (PubChem CID 108557655) has the molecular formula C26H29N3O4 and a molecular weight of 447.54 g/mol. Its IUPAC name is 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
PubChem CID108557655
Molecular FormulaC26H29N3O4
Molecular Weight447.54 g/mol
Exact Mass447.22
IUPAC Name2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide
SMILESCc1ccccc1C(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)CC1
InChIInChI=1S/C26H29N3O4/c1-16(2)15-29-25(32)21-9-8-18(14-22(21)26(29)33)24(31)28-12-10-19(11-13-28)27-23(30)20-7-5-4-6-17(20)3/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,27,30)
InChIKeyXEPDBYVUZKEZQS-UHFFFAOYSA-N
XLogP3.28
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.28
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-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]-2-methylbenzamide
CID 55688991
5-[4-(2-methylbenzoyl)piperazine-1-carbonyl]-2-(2-methylpropyl)isoindole-1,3-dione
CID 108534962
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]pyridine-4-carboxamide
CID 108556866
N-(1-acetylpiperidin-4-yl)-2-(2-methylpropyl)-1,3-dioxoisoindole-5-carboxamide
CID 108560251
prop-2-enyl N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]carbamate
CID 108564492
N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]oxolane-2-carboxamide
CID 108555243
2-methyl-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 39512672
5-(4-acetylpiperazine-1-carbonyl)-2-(2-methylpropyl)isoindole-1,3-dione
CID 39349762
2-chloro-N-[1-[2-(3-methoxypropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]propanamide
CID 108564596
2-methyl-N-[1-(4-methylsulfanylbenzoyl)piperidin-4-yl]benzamide
CID 39510378
N,N-dimethyl-4-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperazine-1-carboxamide
CID 108568252
2-methyl-N-[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 39510641

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide?
The IUPAC name of 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide (CID 108557655) is 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide?
The canonical SMILES for 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide is Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccc3c(c2)C(=O)N(CC(C)C)C3=O)CC1.
What is the InChIKey of 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide?
The InChIKey is XEPDBYVUZKEZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4/c1-16(2)15-29-25(32)21-9-8-18(14-22(21)26(29)33)24(31)28-12-10-19(11-13-28)27-23(30)20-7-5-4-6-17(20)3/h4-9,14,16,19H,10-13,15H2,1-3H3,(H,27,30).
What are the key properties of 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide?
2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 447.54 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-[2-(2-methylpropyl)-1,3-dioxoisoindole-5-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 108557655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).