N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

C14H19F3N4O2 — CID 129345603

IUPACN-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C14H19F3N4O2/c1-9(22)19-11-3-4-12(14(15,16)17)21(8-11)13(23)5-10-6-18-20(2)7-10/h6-7,11-12H,3-5,8H2,1-2H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyDNOXZHLOIGXMIT-NEPJUHHUSA-N
MW332.33 g/mol
LogP1.02
Rot. Bonds3

About N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129345603) has the molecular formula C14H19F3N4O2 and a molecular weight of 332.33 g/mol. Its IUPAC name is N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129345603
Molecular FormulaC14H19F3N4O2
Molecular Weight332.33 g/mol
Exact Mass332.15
IUPAC NameN-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2cnn(C)c2)C1
InChIInChI=1S/C14H19F3N4O2/c1-9(22)19-11-3-4-12(14(15,16)17)21(8-11)13(23)5-10-6-18-20(2)7-10/h6-7,11-12H,3-5,8H2,1-2H3,(H,19,22)/t11-,12+/m1/s1
InChIKeyDNOXZHLOIGXMIT-NEPJUHHUSA-N
XLogP1.02
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 75525015
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CID 71755430
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CID 72838842
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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129345603) is N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)Cc2cnn(C)c2)C1.
What is the InChIKey of N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is DNOXZHLOIGXMIT-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19F3N4O2/c1-9(22)19-11-3-4-12(14(15,16)17)21(8-11)13(23)5-10-6-18-20(2)7-10/h6-7,11-12H,3-5,8H2,1-2H3,(H,19,22)/t11-,12+/m1/s1.
What are the key properties of N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 332.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-[2-(1-methylpyrazol-4-yl)acetyl]-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129345603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).