(2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

C14H24F3N3O3 — CID 95347613

IUPAC(2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O3/c1-9(2)7-18-12(22)19-11(21)10(3)20-6-4-5-13(23,8-20)14(15,16)17/h9-10,23H,4-8H2,1-3H3,(H2,18,19,21,22)/t10-,13+/m0/s1
InChIKeyISCGXIVQRRHQBL-GXFFZTMASA-N
MW339.36 g/mol
LogP1.25
Rot. Bonds4

About (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide

(2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (PubChem CID 95347613) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
PubChem CID95347613
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Name(2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide
SMILESCC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C14H24F3N3O3/c1-9(2)7-18-12(22)19-11(21)10(3)20-6-4-5-13(23,8-20)14(15,16)17/h9-10,23H,4-8H2,1-3H3,(H2,18,19,21,22)/t10-,13+/m0/s1
InChIKeyISCGXIVQRRHQBL-GXFFZTMASA-N
XLogP1.25
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The IUPAC name of (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide (CID 95347613) is (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide.
What is the SMILES notation for (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The canonical SMILES for (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is CC(C)CNC(=O)NC(=O)[C@H](C)N1CCC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
The InChIKey is ISCGXIVQRRHQBL-GXFFZTMASA-N. The full InChI is InChI=1S/C14H24F3N3O3/c1-9(2)7-18-12(22)19-11(21)10(3)20-6-4-5-13(23,8-20)14(15,16)17/h9-10,23H,4-8H2,1-3H3,(H2,18,19,21,22)/t10-,13+/m0/s1.
What are the key properties of (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide?
(2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide has a molecular weight of 339.36 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-3-hydroxy-3-(trifluoromethyl)piperidin-1-yl]-N-(2-methylpropylcarbamoyl)propanamide is sourced from PubChem (CID 95347613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).