1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide

C18H31N3O2 — CID 3236163

IUPAC1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C18H31N3O2/c22-17-10-9-16(21(17)15-7-2-1-3-8-15)18(23)19-11-6-14-20-12-4-5-13-20/h15-16H,1-14H2,(H,19,23)
InChIKeyACEVUHHNCMNNIJ-UHFFFAOYSA-N
MW321.47 g/mol
LogP1.91
Rot. Bonds6

About 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide

1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide (PubChem CID 3236163) has the molecular formula C18H31N3O2 and a molecular weight of 321.47 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide
PubChem CID3236163
Molecular FormulaC18H31N3O2
Molecular Weight321.47 g/mol
Exact Mass321.24
IUPAC Name1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide
SMILESO=C(NCCCN1CCCC1)C1CCC(=O)N1C1CCCCC1
InChIInChI=1S/C18H31N3O2/c22-17-10-9-16(21(17)15-7-2-1-3-8-15)18(23)19-11-6-14-20-12-4-5-13-20/h15-16H,1-14H2,(H,19,23)
InChIKeyACEVUHHNCMNNIJ-UHFFFAOYSA-N
XLogP1.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
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-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide (CID 3236163) is 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide is O=C(NCCCN1CCCC1)C1CCC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
The InChIKey is ACEVUHHNCMNNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O2/c22-17-10-9-16(21(17)15-7-2-1-3-8-15)18(23)19-11-6-14-20-12-4-5-13-20/h15-16H,1-14H2,(H,19,23).
What are the key properties of 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide?
1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide has a molecular weight of 321.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-(3-pyrrolidin-1-ylpropyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 3236163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).