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

C27H33N3O3 — CID 108737757

IUPAC2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H33N3O3/c1-4-19(3)24(30-26(32)22-7-5-6-8-23(22)27(30)33)25(31)28-21-11-9-20(10-12-21)17-29-15-13-18(2)14-16-29/h5-12,18-19,24H,4,13-17H2,1-3H3,(H,28,31)
InChIKeyFJBDWZJHWRBYBI-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.57
Rot. Bonds7

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

2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide (PubChem CID 108737757) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide
PubChem CID108737757
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide
SMILESCCC(C)C(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C27H33N3O3/c1-4-19(3)24(30-26(32)22-7-5-6-8-23(22)27(30)33)25(31)28-21-11-9-20(10-12-21)17-29-15-13-18(2)14-16-29/h5-12,18-19,24H,4,13-17H2,1-3H3,(H,28,31)
InChIKeyFJBDWZJHWRBYBI-UHFFFAOYSA-N
XLogP4.57
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.57
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-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 108760668
N-[4-(diethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 19167687
2-amino-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-phenylacetamide
CID 119844839
(2S,3S)-N-(3-chloro-4-methoxyphenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 7783028
N-cycloheptyl-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 84873355
2-acetamido-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]butanamide
CID 42962486
N-(2,4-dichlorophenyl)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanamide
CID 19176296
2-acetamido-2-cyclopentyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972376
2-(methylamino)-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 120703837
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-3-phenoxypropanamide
CID 108737782
(2R,3S)-2-(1,3-dioxoisoindol-2-yl)-3-methylpentanoic acid
CID 774771
N-[4-[(4-benzhydrylpiperidin-1-yl)methyl]phenyl]acetamide
CID 21424837

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide (CID 108737757) is 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide is CCC(C)C(C(=O)Nc1ccc(CN2CCC(C)CC2)cc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide?
The InChIKey is FJBDWZJHWRBYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-4-19(3)24(30-26(32)22-7-5-6-8-23(22)27(30)33)25(31)28-21-11-9-20(10-12-21)17-29-15-13-18(2)14-16-29/h5-12,18-19,24H,4,13-17H2,1-3H3,(H,28,31).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide?
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide has a molecular weight of 447.58 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]pentanamide is sourced from PubChem (CID 108737757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).