N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide

C28H36N4O4 — CID 26356795

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
SMILESCOCCN1C(=O)c2cccc(N3CCC(C(=O)N(CCN(C)C)Cc4ccccc4)CC3)c2C1=O
InChIInChI=1S/C28H36N4O4/c1-29(2)16-17-31(20-21-8-5-4-6-9-21)26(33)22-12-14-30(15-13-22)24-11-7-10-23-25(24)28(35)32(27(23)34)18-19-36-3/h4-11,22H,12-20H2,1-3H3
InChIKeyIGLKXZZVERJLDW-UHFFFAOYSA-N
MW492.62 g/mol
LogP2.74
Rot. Bonds10

About N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide

N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide (PubChem CID 26356795) has the molecular formula C28H36N4O4 and a molecular weight of 492.62 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
PubChem CID26356795
Molecular FormulaC28H36N4O4
Molecular Weight492.62 g/mol
Exact Mass492.27
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide
SMILESCOCCN1C(=O)c2cccc(N3CCC(C(=O)N(CCN(C)C)Cc4ccccc4)CC3)c2C1=O
InChIInChI=1S/C28H36N4O4/c1-29(2)16-17-31(20-21-8-5-4-6-9-21)26(33)22-12-14-30(15-13-22)24-11-7-10-23-25(24)28(35)32(27(23)34)18-19-36-3/h4-11,22H,12-20H2,1-3H3
InChIKeyIGLKXZZVERJLDW-UHFFFAOYSA-N
XLogP2.74
TPSA73.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-1-[2-[(2-chlorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-4-carboxamide
CID 45180898
(3R)-N-benzyl-1-[2-(3-methoxypropyl)-1,3-dioxoisoindol-4-yl]-N-methylpiperidine-3-carboxamide
CID 42480022
N-benzyl-1-[2-[(3-fluorophenyl)methyl]-1,3-dioxoisoindol-4-yl]-N-methylpiperidine-4-carboxamide
CID 42278262
N-benzyl-N-[2-(dimethylamino)ethyl]cyclopropanecarboxamide
CID 60666282
N-benzyl-N-[2-(dimethylamino)ethyl]cyclobutanecarboxamide
CID 78811308
N-benzyl-1-[1,3-dioxo-2-(thiophen-2-ylmethyl)isoindol-4-yl]-N-ethylpiperidine-3-carboxamide
CID 118754313
N-benzyl-1-(2,6-dichlorophenyl)sulfonyl-N-(2-methoxyethyl)piperidine-4-carboxamide
CID 27826689
N-benzyl-N-[2-(dimethylamino)ethyl]-1-[(3-phenylmethoxyphenyl)methyl]piperidine-4-carboxamide
CID 3545948
N-benzyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-dioxoisoindol-4-yl]-N-(2-phenylethyl)piperidine-3-carboxamide
CID 45241436
(3S)-N-benzyl-1-[2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1,3-dioxoisoindol-4-yl]-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 125154903
N-benzyl-N-ethyl-1-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-1,3-dioxoisoindol-4-yl]piperidine-3-carboxamide
CID 45247822
1-[2-(cyclohexylmethyl)-1,3-dioxoisoindol-4-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 118755188

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide (CID 26356795) is N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide is COCCN1C(=O)c2cccc(N3CCC(C(=O)N(CCN(C)C)Cc4ccccc4)CC3)c2C1=O.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
The InChIKey is IGLKXZZVERJLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N4O4/c1-29(2)16-17-31(20-21-8-5-4-6-9-21)26(33)22-12-14-30(15-13-22)24-11-7-10-23-25(24)28(35)32(27(23)34)18-19-36-3/h4-11,22H,12-20H2,1-3H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 2.74, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-1-[2-(2-methoxyethyl)-1,3-dioxoisoindol-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 26356795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).