4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

C23H28N4O3S — CID 46680128

IUPAC4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1nc(CN3CCCC(C)C3)cs1)C2=O
InChIInChI=1S/C23H28N4O3S/c1-15-7-8-18-19(11-15)22(30)27(21(18)29)10-4-6-20(28)25-23-24-17(14-31-23)13-26-9-3-5-16(2)12-26/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,24,25,28)
InChIKeyABUDMADCQPAFOR-UHFFFAOYSA-N
MW440.57 g/mol
LogP3.70
Rot. Bonds7

About 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 46680128) has the molecular formula C23H28N4O3S and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID46680128
Molecular FormulaC23H28N4O3S
Molecular Weight440.57 g/mol
Exact Mass440.19
IUPAC Name4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1nc(CN3CCCC(C)C3)cs1)C2=O
InChIInChI=1S/C23H28N4O3S/c1-15-7-8-18-19(11-15)22(30)27(21(18)29)10-4-6-20(28)25-23-24-17(14-31-23)13-26-9-3-5-16(2)12-26/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,24,25,28)
InChIKeyABUDMADCQPAFOR-UHFFFAOYSA-N
XLogP3.70
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.57
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-4-pyrazol-1-ylbutanamide
CID 94810560
7-amino-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]heptanamide;dihydrochloride
CID 119831153
2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 35843578
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 24586612
3,3-dimethyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 51298761
3-(2-aminophenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 120612022
2-(2-methylphenyl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]acetamide
CID 46680251
5-methyl-2-[4-(3-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 51192106
N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyridine-4-carboxamide
CID 17458113
(2S)-1-(4-methylphenyl)sulfonyl-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 46680103
N-[4-[[(3R)-3-methylpiperidin-1-yl]methyl]-1,3-thiazol-2-yl]naphthalene-2-carboxamide
CID 35844118
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791355

Frequently Asked Questions

What is the IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (CID 46680128) is 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is Cc1ccc2c(c1)C(=O)N(CCCC(=O)Nc1nc(CN3CCCC(C)C3)cs1)C2=O.
What is the InChIKey of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is ABUDMADCQPAFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3S/c1-15-7-8-18-19(11-15)22(30)27(21(18)29)10-4-6-20(28)25-23-24-17(14-31-23)13-26-9-3-5-16(2)12-26/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3,(H,24,25,28).
What are the key properties of 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 440.57 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[4-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 46680128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).