N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

C14H26N4O3 — CID 119408328

IUPACN-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C14H26N4O3/c15-2-1-3-16-14(20)12-10-13(19)18(11-12)5-4-17-6-8-21-9-7-17/h12H,1-11,15H2,(H,16,20)
InChIKeyAUEDGPFOCUYMOR-UHFFFAOYSA-N
MW298.39 g/mol
LogP-1.37
Rot. Bonds7

About N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide

N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 119408328) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID119408328
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC NameN-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESNCCCNC(=O)C1CC(=O)N(CCN2CCOCC2)C1
InChIInChI=1S/C14H26N4O3/c15-2-1-3-16-14(20)12-10-13(19)18(11-12)5-4-17-6-8-21-9-7-17/h12H,1-11,15H2,(H,16,20)
InChIKeyAUEDGPFOCUYMOR-UHFFFAOYSA-N
XLogP-1.37
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119508727
1-[2-(2-fluorophenyl)ethyl]-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 113184203
N-[(1-methylpiperidin-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166259890
(3S)-1-benzyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 93017350
N-(2-amino-2-phenylethyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119529290
N-(2-morpholin-4-ylethyl)-5-oxo-1-(oxolan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113182640
(3R)-1-[(4-methoxyphenyl)methyl]-N-(3-morpholin-4-ylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 92696440
N-[2-(aminomethyl)cyclohexyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide;dihydrochloride
CID 119611954
1-(2-morpholin-4-ylethyl)-5-oxo-N-[(4-oxo-1H-pyridin-2-yl)methyl]pyrrolidine-3-carboxamide
CID 166254690
N-[(5-hydroxy-4-oxopyran-2-yl)methyl]-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 166372523
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476
1-cyclobutyl-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 110687457

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 119408328) is N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is NCCCNC(=O)C1CC(=O)N(CCN2CCOCC2)C1.
What is the InChIKey of N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AUEDGPFOCUYMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c15-2-1-3-16-14(20)12-10-13(19)18(11-12)5-4-17-6-8-21-9-7-17/h12H,1-11,15H2,(H,16,20).
What are the key properties of N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 298.39 g/mol, XLogP of -1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 119408328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).