N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C15H21F3N4O2 — CID 129345678

IUPACN-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccnn2C)C1
InChIInChI=1S/C15H21F3N4O2/c1-10(23)20-11-3-5-13(15(16,17)18)22(9-11)14(24)6-4-12-7-8-19-21(12)2/h7-8,11,13H,3-6,9H2,1-2H3,(H,20,23)/t11-,13+/m1/s1
InChIKeyKMOUSQCNPYFTBN-YPMHNXCESA-N
MW346.35 g/mol
LogP1.41
Rot. Bonds4

About N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345678) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345678
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC NameN-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccnn2C)C1
InChIInChI=1S/C15H21F3N4O2/c1-10(23)20-11-3-5-13(15(16,17)18)22(9-11)14(24)6-4-12-7-8-19-21(12)2/h7-8,11,13H,3-6,9H2,1-2H3,(H,20,23)/t11-,13+/m1/s1
InChIKeyKMOUSQCNPYFTBN-YPMHNXCESA-N
XLogP1.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345678) is N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)CCc2ccnn2C)C1.
What is the InChIKey of N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is KMOUSQCNPYFTBN-YPMHNXCESA-N. The full InChI is InChI=1S/C15H21F3N4O2/c1-10(23)20-11-3-5-13(15(16,17)18)22(9-11)14(24)6-4-12-7-8-19-21(12)2/h7-8,11,13H,3-6,9H2,1-2H3,(H,20,23)/t11-,13+/m1/s1.
What are the key properties of N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 346.35 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-[3-(2-methylpyrazol-3-yl)propanoyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).