N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C13H22F3N3O2 — CID 63708431

IUPACN-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H22F3N3O2/c1-10(8-19-4-6-21-7-5-19)18-11(20)12(13(14,15)16)2-3-17-9-12/h10,17H,2-9H2,1H3,(H,18,20)
InChIKeyMQZMPWXQLFMRME-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.37
Rot. Bonds4

About N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 63708431) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID63708431
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC NameN-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CN1CCOCC1)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C13H22F3N3O2/c1-10(8-19-4-6-21-7-5-19)18-11(20)12(13(14,15)16)2-3-17-9-12/h10,17H,2-9H2,1H3,(H,18,20)
InChIKeyMQZMPWXQLFMRME-UHFFFAOYSA-N
XLogP0.37
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 63708431) is N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(CN1CCOCC1)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is MQZMPWXQLFMRME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c1-10(8-19-4-6-21-7-5-19)18-11(20)12(13(14,15)16)2-3-17-9-12/h10,17H,2-9H2,1H3,(H,18,20).
What are the key properties of N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-morpholin-4-ylpropan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63708431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).