(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide

C16H28F3N3O2 — CID 97076011

IUPAC(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(O)CNC(=O)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-15(2,24)10-20-14(23)13-4-3-7-22(13)12-5-8-21(9-6-12)11-16(17,18)19/h12-13,24H,3-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyKKSFOYZHEYPPDQ-CYBMUJFWSA-N
MW351.41 g/mol
LogP1.36
Rot. Bonds5

About (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide

(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide (PubChem CID 97076011) has the molecular formula C16H28F3N3O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
PubChem CID97076011
Molecular FormulaC16H28F3N3O2
Molecular Weight351.41 g/mol
Exact Mass351.21
IUPAC Name(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
SMILESCC(C)(O)CNC(=O)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C16H28F3N3O2/c1-15(2,24)10-20-14(23)13-4-3-7-22(13)12-5-8-21(9-6-12)11-16(17,18)19/h12-13,24H,3-11H2,1-2H3,(H,20,23)/t13-/m1/s1
InChIKeyKKSFOYZHEYPPDQ-CYBMUJFWSA-N
XLogP1.36
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 71845243
N-(3-hydroxy-2,2-dimethylpropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 115360278
1-[1-(2-hydroxy-2,3-dimethylbutyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 114494851
1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylic acid
CID 86692770
(2S)-N-[(1S)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 97088683
lithium 1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]azetidine-2-carboxylate
CID 86692769
N-(2,2-difluoro-3-hydroxypropyl)-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 106176774
N-ethyl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 51077622
1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
2-(2,2,2-trifluoroethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 123428236
1-[1-(2-acetamidoethyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61020451

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide (CID 97076011) is (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide is CC(C)(O)CNC(=O)[C@H]1CCCN1C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
The InChIKey is KKSFOYZHEYPPDQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H28F3N3O2/c1-15(2,24)10-20-14(23)13-4-3-7-22(13)12-5-8-21(9-6-12)11-16(17,18)19/h12-13,24H,3-11H2,1-2H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide?
(2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-hydroxy-2-methylpropyl)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 97076011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).