N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide

C14H24F3N3O2 — CID 123771505

IUPACN-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)C1CCC(OCC(F)(F)F)CN1
InChIInChI=1S/C14H24F3N3O2/c1-9(20-13(21)12-3-2-6-18-12)11-5-4-10(7-19-11)22-8-14(15,16)17/h9-12,18-19H,2-8H2,1H3,(H,20,21)
InChIKeyLIPFKIJZOWPWBL-UHFFFAOYSA-N
MW323.36 g/mol
LogP0.94
Rot. Bonds5

About N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide

N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 123771505) has the molecular formula C14H24F3N3O2 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
PubChem CID123771505
Molecular FormulaC14H24F3N3O2
Molecular Weight323.36 g/mol
Exact Mass323.18
IUPAC NameN-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
SMILESCC(NC(=O)C1CCCN1)C1CCC(OCC(F)(F)F)CN1
InChIInChI=1S/C14H24F3N3O2/c1-9(20-13(21)12-3-2-6-18-12)11-5-4-10(7-19-11)22-8-14(15,16)17/h9-12,18-19H,2-8H2,1H3,(H,20,21)
InChIKeyLIPFKIJZOWPWBL-UHFFFAOYSA-N
XLogP0.94
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 43698410
(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 61155301
(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 90063146
2-(2-oxopiperazin-1-yl)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]acetamide
CID 118349044
(2S)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 118349045
N-[1-[1-methyl-5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 123631148
(2R)-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide
CID 144692951
6-methyl-N-(oxolan-2-ylmethyl)piperidine-2-carboxamide
CID 24702013
1-[(4-ethylmorpholin-2-yl)methyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 51108776
2-[1-(oxolan-2-yl)ethylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 54961691
(4-Methoxypyrrolidin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61260344
3-[1-(Oxolan-2-yl)ethylamino]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 75504224

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide (CID 123771505) is N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide is CC(NC(=O)C1CCCN1)C1CCC(OCC(F)(F)F)CN1.
What is the InChIKey of N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
The InChIKey is LIPFKIJZOWPWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O2/c1-9(20-13(21)12-3-2-6-18-12)11-5-4-10(7-19-11)22-8-14(15,16)17/h9-12,18-19H,2-8H2,1H3,(H,20,21).
What are the key properties of N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide?
N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 0.94, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2,2,2-trifluoroethoxy)piperidin-2-yl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 123771505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).