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

C26H31N3O3 — CID 36543812

IUPAC3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccc(CN3CCC(C)CC3)cc1)C2=O
InChIInChI=1S/C26H31N3O3/c1-18-9-12-28(13-10-18)17-21-6-4-20(5-7-21)16-27-24(30)11-14-29-25(31)22-8-3-19(2)15-23(22)26(29)32/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,27,30)
InChIKeyCRENCTFFEUVZOT-UHFFFAOYSA-N
MW433.55 g/mol
LogP3.53
Rot. Bonds7

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

3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (PubChem CID 36543812) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
PubChem CID36543812
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccc(CN3CCC(C)CC3)cc1)C2=O
InChIInChI=1S/C26H31N3O3/c1-18-9-12-28(13-10-18)17-21-6-4-20(5-7-21)16-27-24(30)11-14-29-25(31)22-8-3-19(2)15-23(22)26(29)32/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,27,30)
InChIKeyCRENCTFFEUVZOT-UHFFFAOYSA-N
XLogP3.53
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 53.53
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-[[4-[(1S)-1-hydroxyethyl]phenyl]methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 97199289
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55735354
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide
CID 51266340
7-amino-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]heptanamide;dihydrochloride
CID 119845060
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 55395050
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-(trifluoromethylsulfanyl)acetamide
CID 55650881
2-(4-methylpiperidin-1-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 8558402
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(propan-2-yloxymethyl)phenyl]methyl]propanamide
CID 55797930
N-[4-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 38046570
N-[(2-fluorophenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30438801

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The IUPAC name of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide (CID 36543812) is 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide.
What is the SMILES notation for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The canonical SMILES for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)NCc1ccc(CN3CCC(C)CC3)cc1)C2=O.
What is the InChIKey of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
The InChIKey is CRENCTFFEUVZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-18-9-12-28(13-10-18)17-21-6-4-20(5-7-21)16-27-24(30)11-14-29-25(31)22-8-3-19(2)15-23(22)26(29)32/h3-8,15,18H,9-14,16-17H2,1-2H3,(H,27,30).
What are the key properties of 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide?
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide has a molecular weight of 433.55 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide is sourced from PubChem (CID 36543812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).