5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide

C12H23ClN2O2 — CID 43346878

IUPAC5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESO=C(CCCCCl)NCCCN1CCOCC1
InChIInChI=1S/C12H23ClN2O2/c13-5-2-1-4-12(16)14-6-3-7-15-8-10-17-11-9-15/h1-11H2,(H,14,16)
InChIKeyFSHYTBDVLQQXQV-UHFFFAOYSA-N
MW262.78 g/mol
LogP1.23
Rot. Bonds8

About 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide

5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide (PubChem CID 43346878) has the molecular formula C12H23ClN2O2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide.

Molecular Properties

Compound Name5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide
PubChem CID43346878
Molecular FormulaC12H23ClN2O2
Molecular Weight262.78 g/mol
Exact Mass262.14
IUPAC Name5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide
SMILESO=C(CCCCCl)NCCCN1CCOCC1
InChIInChI=1S/C12H23ClN2O2/c13-5-2-1-4-12(16)14-6-3-7-15-8-10-17-11-9-15/h1-11H2,(H,14,16)
InChIKeyFSHYTBDVLQQXQV-UHFFFAOYSA-N
XLogP1.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide?
The IUPAC name of 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide (CID 43346878) is 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide.
What is the SMILES notation for 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide?
The canonical SMILES for 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide is O=C(CCCCCl)NCCCN1CCOCC1.
What is the InChIKey of 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide?
The InChIKey is FSHYTBDVLQQXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23ClN2O2/c13-5-2-1-4-12(16)14-6-3-7-15-8-10-17-11-9-15/h1-11H2,(H,14,16).
What are the key properties of 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide?
5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide has a molecular weight of 262.78 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3-morpholin-4-ylpropyl)pentanamide is sourced from PubChem (CID 43346878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).