1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

C14H25F3N4O2 — CID 60606504

IUPAC1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESO=C(NCCCN1CCOCC1)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H25F3N4O2/c15-14(16,17)11-21-5-2-12(10-21)19-13(22)18-3-1-4-20-6-8-23-9-7-20/h12H,1-11H2,(H2,18,19,22)
InChIKeyXVHBZABMMVVLPT-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.64
Rot. Bonds6

About 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea

1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (PubChem CID 60606504) has the molecular formula C14H25F3N4O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
PubChem CID60606504
Molecular FormulaC14H25F3N4O2
Molecular Weight338.37 g/mol
Exact Mass338.19
IUPAC Name1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
SMILESO=C(NCCCN1CCOCC1)NC1CCN(CC(F)(F)F)C1
InChIInChI=1S/C14H25F3N4O2/c15-14(16,17)11-21-5-2-12(10-21)19-13(22)18-3-1-4-20-6-8-23-9-7-20/h12H,1-11H2,(H2,18,19,22)
InChIKeyXVHBZABMMVVLPT-UHFFFAOYSA-N
XLogP0.64
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-1-carboxamide
CID 60478485
1-Methyl-1-(1-methylpyrrolidin-3-yl)-3-(2-morpholin-4-ylethyl)urea
CID 172437142
1-[(1-Ethylpyrrolidin-2-yl)methyl]-3-(2-morpholin-4-ylethyl)urea
CID 53626942
morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone
CID 164640198
N-[(3S)-3-amino-4-fluorobutyl]morpholine-4-carboxamide
CID 68244754
(3S)-N-[(2S)-3-morpholin-4-ylbutan-2-yl]-3-(2,2,2-trifluoroethyl)pyrrolidine-1-carboxamide
CID 156315687
[1-methyl-2-oxo-3-[(3R)-piperidin-3-yl]imidazolidin-4-yl] 2,2,2-trifluoroacetate
CID 156750019
Ethyl 4-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoylamino]piperidine-1-carboxylate
CID 49134928
1-[3-(2,6-Dimethylmorpholin-4-yl)propyl]-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 51129080
1-[3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 52515277
1-[3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 52515279
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 53521564

Frequently Asked Questions

What is the IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The IUPAC name of 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea (CID 60606504) is 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is O=C(NCCCN1CCOCC1)NC1CCN(CC(F)(F)F)C1.
What is the InChIKey of 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
The InChIKey is XVHBZABMMVVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2/c15-14(16,17)11-21-5-2-12(10-21)19-13(22)18-3-1-4-20-6-8-23-9-7-20/h12H,1-11H2,(H2,18,19,22).
What are the key properties of 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea?
1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea has a molecular weight of 338.37 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 60606504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).