N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

C15H27N3O3 — CID 122176455

IUPACN-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-12(2)18-13(4-5-14(18)19)15(20)16-6-3-7-17-8-10-21-11-9-17/h12-13H,3-11H2,1-2H3,(H,16,20)
InChIKeyDFVYGZRAGNSJFW-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.22
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide

N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 122176455) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID122176455
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCCCN1CCOCC1
InChIInChI=1S/C15H27N3O3/c1-12(2)18-13(4-5-14(18)19)15(20)16-6-3-7-17-8-10-21-11-9-17/h12-13H,3-11H2,1-2H3,(H,16,20)
InChIKeyDFVYGZRAGNSJFW-UHFFFAOYSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide (CID 122176455) is N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CCC1C(=O)NCCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is DFVYGZRAGNSJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12(2)18-13(4-5-14(18)19)15(20)16-6-3-7-17-8-10-21-11-9-17/h12-13H,3-11H2,1-2H3,(H,16,20).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide?
N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 297.40 g/mol, XLogP of 0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 122176455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).