N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

C22H31N3O3 — CID 55735354

IUPACN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCCCN1CC(C)CC(C)C1)C2=O
InChIInChI=1S/C22H31N3O3/c1-15-5-6-18-19(12-15)22(28)25(21(18)27)10-7-20(26)23-8-4-9-24-13-16(2)11-17(3)14-24/h5-6,12,16-17H,4,7-11,13-14H2,1-3H3,(H,23,26)
InChIKeyCYMMXVTZTMFGRC-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.47
Rot. Bonds7

About N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 55735354) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
PubChem CID55735354
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC NameN-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
SMILESCc1ccc2c(c1)C(=O)N(CCC(=O)NCCCN1CC(C)CC(C)C1)C2=O
InChIInChI=1S/C22H31N3O3/c1-15-5-6-18-19(12-15)22(28)25(21(18)27)10-7-20(26)23-8-4-9-24-13-16(2)11-17(3)14-24/h5-6,12,16-17H,4,7-11,13-14H2,1-3H3,(H,23,26)
InChIKeyCYMMXVTZTMFGRC-UHFFFAOYSA-N
XLogP2.47
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 27680688
N-[3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propyl]-2,5-dimethylbenzamide
CID 100532484
3-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 36543812
N-(2-hydroxypropyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 78855951
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55895252
2-[4-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperazin-1-yl]-N-propylacetamide
CID 55376897
N-[(2,4-dimethylphenyl)methyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 46591341
N-(3-benzylsulfonylpropyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 55841426
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-(3-methylphenoxy)acetamide
CID 47038146
4-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[2-(4-methylphenyl)sulfanylethyl]butanamide
CID 46475036
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]propanamide
CID 60573467

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide (CID 55735354) is N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is Cc1ccc2c(c1)C(=O)N(CCC(=O)NCCCN1CC(C)CC(C)C1)C2=O.
What is the InChIKey of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is CYMMXVTZTMFGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-15-5-6-18-19(12-15)22(28)25(21(18)27)10-7-20(26)23-8-4-9-24-13-16(2)11-17(3)14-24/h5-6,12,16-17H,4,7-11,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide?
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 385.51 g/mol, XLogP of 2.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 55735354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).