N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

C14H19F3N2O2 — CID 129352014

IUPACN-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C2CC=CC2)C1
InChIInChI=1S/C14H19F3N2O2/c1-9(20)18-11-6-7-12(14(15,16)17)19(8-11)13(21)10-4-2-3-5-10/h2-3,10-12H,4-8H2,1H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyVOFIKPWGCIEOQX-NEPJUHHUSA-N
MW304.31 g/mol
LogP2.01
Rot. Bonds2

About N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide

N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (PubChem CID 129352014) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
PubChem CID129352014
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C2CC=CC2)C1
InChIInChI=1S/C14H19F3N2O2/c1-9(20)18-11-6-7-12(14(15,16)17)19(8-11)13(21)10-4-2-3-5-10/h2-3,10-12H,4-8H2,1H3,(H,18,20)/t11-,12+/m1/s1
InChIKeyVOFIKPWGCIEOQX-NEPJUHHUSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide (CID 129352014) is N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is CC(=O)N[C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)C2CC=CC2)C1.
What is the InChIKey of N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
The InChIKey is VOFIKPWGCIEOQX-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(20)18-11-6-7-12(14(15,16)17)19(8-11)13(21)10-4-2-3-5-10/h2-3,10-12H,4-8H2,1H3,(H,18,20)/t11-,12+/m1/s1.
What are the key properties of N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide?
N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide has a molecular weight of 304.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,6S)-1-(cyclopent-3-ene-1-carbonyl)-6-(trifluoromethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 129352014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).