2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide

C14H21F3N4O2 — CID 136547599

IUPAC2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
SMILESCOC(C(=O)NC1CCCN(CC(F)(F)F)C1)c1cnn(C)c1
InChIInChI=1S/C14H21F3N4O2/c1-20-7-10(6-18-20)12(23-2)13(22)19-11-4-3-5-21(8-11)9-14(15,16)17/h6-7,11-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyMSTHANRMFWTGRQ-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.25
Rot. Bonds5

About 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide

2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide (PubChem CID 136547599) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
PubChem CID136547599
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Name2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide
SMILESCOC(C(=O)NC1CCCN(CC(F)(F)F)C1)c1cnn(C)c1
InChIInChI=1S/C14H21F3N4O2/c1-20-7-10(6-18-20)12(23-2)13(22)19-11-4-3-5-21(8-11)9-14(15,16)17/h6-7,11-12H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyMSTHANRMFWTGRQ-UHFFFAOYSA-N
XLogP1.25
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
The IUPAC name of 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide (CID 136547599) is 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide is COC(C(=O)NC1CCCN(CC(F)(F)F)C1)c1cnn(C)c1.
What is the InChIKey of 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
The InChIKey is MSTHANRMFWTGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-20-7-10(6-18-20)12(23-2)13(22)19-11-4-3-5-21(8-11)9-14(15,16)17/h6-7,11-12H,3-5,8-9H2,1-2H3,(H,19,22).
What are the key properties of 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide?
2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide has a molecular weight of 334.34 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(1-methylpyrazol-4-yl)-N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 136547599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).