N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide

C19H25N3O3 — CID 108889482

IUPACN-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H25N3O3/c1-2-14-8-5-6-12-21(14)19(25)20-11-7-13-22-17(23)15-9-3-4-10-16(15)18(22)24/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H,20,25)
InChIKeyLZTDOSQPQNLCSU-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.65
Rot. Bonds5

About N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide

N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide (PubChem CID 108889482) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide
PubChem CID108889482
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)NCCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C19H25N3O3/c1-2-14-8-5-6-12-21(14)19(25)20-11-7-13-22-17(23)15-9-3-4-10-16(15)18(22)24/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H,20,25)
InChIKeyLZTDOSQPQNLCSU-UHFFFAOYSA-N
XLogP2.65
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

2-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 682215
[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 55317601
1-cyclohexyl-3-[3-(1,3-dioxoisoindol-2-yl)propyl]-1-methylurea
CID 108889348
4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
4-[(2-ethylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 61208817
2-[4-(2-methylpiperidin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 18074489
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
2-ethyl-N-[2-(2-fluorophenoxy)ethyl]piperidine-1-carboxamide
CID 112970222
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
7-[(2-ethylpyrrolidine-1-carbonyl)amino]heptanoic acid
CID 61207841
(2R)-N-butyl-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 78993815
N-[2-(dimethylamino)-2-phenylethyl]-2-ethylpiperidine-1-carboxamide
CID 86999382

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide (CID 108889482) is N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide is CCC1CCCCN1C(=O)NCCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide?
The InChIKey is LZTDOSQPQNLCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-14-8-5-6-12-21(14)19(25)20-11-7-13-22-17(23)15-9-3-4-10-16(15)18(22)24/h3-4,9-10,14H,2,5-8,11-13H2,1H3,(H,20,25).
What are the key properties of N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide?
N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 108889482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).