3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide

C13H23F3N2O — CID 115519402

IUPAC3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCCC(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O/c1-2-5-12(7-9-17-10-12)11(19)18-8-4-3-6-13(14,15)16/h17H,2-10H2,1H3,(H,18,19)
InChIKeyIUUFCWSXHZHVLH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.62
Rot. Bonds7

About 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide

3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide (PubChem CID 115519402) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
PubChem CID115519402
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCCC(F)(F)F)CCNC1
InChIInChI=1S/C13H23F3N2O/c1-2-5-12(7-9-17-10-12)11(19)18-8-4-3-6-13(14,15)16/h17H,2-10H2,1H3,(H,18,19)
InChIKeyIUUFCWSXHZHVLH-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
CID 63135295
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
N-[3-(4-methylpiperazin-1-yl)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63141437
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
2-[[2-[(3-propylpyrrolidine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 63141210
3-propyl-N-(2,3,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 83142761
4-(methoxymethyl)-N-(4,4,4-trifluorobutyl)piperidine-4-carboxamide;hydrochloride
CID 120632253
1-(aminomethyl)-N-(5,5,5-trifluoropentyl)cyclopentane-1-carboxamide
CID 113327212
N-(2-cyclopentyloxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 55261464
N-(2,2-dimethoxyethyl)-3-propylpyrrolidine-3-carboxamide
CID 63141705
N-[2-(cyclopenten-1-yl)ethyl]-3-propylpyrrolidine-3-carboxamide
CID 114154033

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide (CID 115519402) is 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide is CCCC1(C(=O)NCCCCC(F)(F)F)CCNC1.
What is the InChIKey of 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide?
The InChIKey is IUUFCWSXHZHVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-2-5-12(7-9-17-10-12)11(19)18-8-4-3-6-13(14,15)16/h17H,2-10H2,1H3,(H,18,19).
What are the key properties of 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide?
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 115519402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).