1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

C18H32N3O3+ — CID 3319859

IUPAC1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC[NH+]1CCOCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C18H31N3O3/c22-17-8-7-16(21(17)15-5-2-1-3-6-15)18(23)19-9-4-10-20-11-13-24-14-12-20/h15-16H,1-14H2,(H,19,23)/p+1
InChIKeyNSWNHNNGKMJHKI-UHFFFAOYSA-O
MW338.47 g/mol
LogP-0.27
Rot. Bonds6

About 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide

1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 3319859) has the molecular formula C18H32N3O3+ and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID3319859
Molecular FormulaC18H32N3O3+
Molecular Weight338.47 g/mol
Exact Mass338.24
IUPAC Name1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide
SMILESO=C(NCCC[NH+]1CCOCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C18H31N3O3/c22-17-8-7-16(21(17)15-5-2-1-3-6-15)18(23)19-9-4-10-20-11-13-24-14-12-20/h15-16H,1-14H2,(H,19,23)/p+1
InChIKeyNSWNHNNGKMJHKI-UHFFFAOYSA-O
XLogP-0.27
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide (CID 3319859) is 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is O=C(NCCC[NH+]1CCOCC1)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NSWNHNNGKMJHKI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H31N3O3/c22-17-8-7-16(21(17)15-5-2-1-3-6-15)18(23)19-9-4-10-20-11-13-24-14-12-20/h15-16H,1-14H2,(H,19,23)/p+1.
What are the key properties of 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide?
1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 338.47 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(3-morpholin-4-ium-4-ylpropyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 3319859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).