(2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide

C16H26F3N3O3 — CID 102590703

IUPAC(2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
SMILESCC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C16H26F3N3O3/c1-4-10(2)12(21-15(25)16(17,18)19)13(23)20-11(3)14(24)22-8-6-5-7-9-22/h10-12H,4-9H2,1-3H3,(H,20,23)(H,21,25)/t10-,11+,12+/m1/s1
InChIKeyQHRZRLIXPBHZOR-WOPDTQHZSA-N
MW365.40 g/mol
LogP1.60
Rot. Bonds6

About (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide

(2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide (PubChem CID 102590703) has the molecular formula C16H26F3N3O3 and a molecular weight of 365.40 g/mol. Its IUPAC name is (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide.

Molecular Properties

Compound Name(2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
PubChem CID102590703
Molecular FormulaC16H26F3N3O3
Molecular Weight365.40 g/mol
Exact Mass365.19
IUPAC Name(2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
SMILESCC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)C(=O)N1CCCCC1
InChIInChI=1S/C16H26F3N3O3/c1-4-10(2)12(21-15(25)16(17,18)19)13(23)20-11(3)14(24)22-8-6-5-7-9-22/h10-12H,4-9H2,1-3H3,(H,20,23)(H,21,25)/t10-,11+,12+/m1/s1
InChIKeyQHRZRLIXPBHZOR-WOPDTQHZSA-N
XLogP1.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N-(3-ethyl-3-hydroxy-1-oxo-1-piperidin-1-ylpentan-2-yl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentanamide
CID 51033183
2,2,2-trifluoro-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)acetamide
CID 62490280
2-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 110280633
2-ethyl-N-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]butanamide
CID 95747727
(2S)-2-amino-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide;hydrochloride
CID 119292063
(3-methyl-1-oxo-1-piperidin-1-ylpentan-2-yl)urea
CID 60634937
2-cyano-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 113408600
2-amino-2-ethyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 79809452
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
(3-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl)urea
CID 60634981
2-amino-3-methoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)propanamide;hydrochloride
CID 120986585
2-amino-3-methyl-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)butanamide
CID 54863272

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The IUPAC name of (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide (CID 102590703) is (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide.
What is the SMILES notation for (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The canonical SMILES for (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide is CC[C@@H](C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@@H](C)C(=O)N1CCCCC1.
What is the InChIKey of (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
The InChIKey is QHRZRLIXPBHZOR-WOPDTQHZSA-N. The full InChI is InChI=1S/C16H26F3N3O3/c1-4-10(2)12(21-15(25)16(17,18)19)13(23)20-11(3)14(24)22-8-6-5-7-9-22/h10-12H,4-9H2,1-3H3,(H,20,23)(H,21,25)/t10-,11+,12+/m1/s1.
What are the key properties of (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide?
(2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide has a molecular weight of 365.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-[(2,2,2-trifluoroacetyl)amino]pentanamide is sourced from PubChem (CID 102590703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).