2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide

C14H21F3N2O2 — CID 108932935

IUPAC2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)/C=C/C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-10(2)3-4-12(20)19-7-5-11(6-8-19)9-18-13(21)14(15,16)17/h3-4,10-11H,5-9H2,1-2H3,(H,18,21)/b4-3+
InChIKeyAQMJFZROIKGDOH-ONEGZZNKSA-N
MW306.33 g/mol
LogP2.12
Rot. Bonds4

About 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide (PubChem CID 108932935) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide
PubChem CID108932935
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide
SMILESCC(C)/C=C/C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C14H21F3N2O2/c1-10(2)3-4-12(20)19-7-5-11(6-8-19)9-18-13(21)14(15,16)17/h3-4,10-11H,5-9H2,1-2H3,(H,18,21)/b4-3+
InChIKeyAQMJFZROIKGDOH-ONEGZZNKSA-N
XLogP2.12
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide (CID 108932935) is 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide is CC(C)/C=C/C(=O)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide?
The InChIKey is AQMJFZROIKGDOH-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-10(2)3-4-12(20)19-7-5-11(6-8-19)9-18-13(21)14(15,16)17/h3-4,10-11H,5-9H2,1-2H3,(H,18,21)/b4-3+.
What are the key properties of 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide has a molecular weight of 306.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-[(E)-4-methylpent-2-enoyl]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108932935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).