1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide

C16H19N3O3 — CID 39903901

IUPAC1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O3/c17-14(20)11-5-7-18(8-6-11)9-10-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyNRZHLRXKPGPTQI-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.48
Rot. Bonds4

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

1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 39903901) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID39903901
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CCN2C(=O)c3ccccc3C2=O)CC1
InChIInChI=1S/C16H19N3O3/c17-14(20)11-5-7-18(8-6-11)9-10-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,11H,5-10H2,(H2,17,20)
InChIKeyNRZHLRXKPGPTQI-UHFFFAOYSA-N
XLogP0.48
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.48
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

1-[2-(1,3-dioxoisoindol-2-yl)ethylsulfonyl]piperidine-4-carboxamide
CID 110678594
2-[2-(4-aminopiperidin-1-yl)ethyl]isoindole-1,3-dione;dihydrochloride
CID 127021054
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
CID 119917686
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-2-carboxylic acid
CID 82224049
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35169844
[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidin-4-yl]-[(1R,2S)-2-phenylcyclopropyl]carbamic acid
CID 129279639
1-[2-(benzenesulfonyl)ethyl]piperidine-4-carboxamide
CID 2821924

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide (CID 39903901) is 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CCN2C(=O)c3ccccc3C2=O)CC1.
What is the InChIKey of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is NRZHLRXKPGPTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c17-14(20)11-5-7-18(8-6-11)9-10-19-15(21)12-3-1-2-4-13(12)16(19)22/h1-4,11H,5-10H2,(H2,17,20).
What are the key properties of 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide?
1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxoisoindol-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 39903901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).