N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

C18H23F3N2O2 — CID 133266900

IUPACN-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-6-4-5-13(9-14)10-17(24)22-15-11-25-12-16(15)23-7-2-1-3-8-23/h4-6,9,15-16H,1-3,7-8,10-12H2,(H,22,24)/t15-,16-/m1/s1
InChIKeyLFSVVGPZSLKEKF-HZPDHXFCSA-N
MW356.39 g/mol
LogP2.62
Rot. Bonds4

About N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 133266900) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID133266900
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC NameN-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1COC[C@H]1N1CCCCC1
InChIInChI=1S/C18H23F3N2O2/c19-18(20,21)14-6-4-5-13(9-14)10-17(24)22-15-11-25-12-16(15)23-7-2-1-3-8-23/h4-6,9,15-16H,1-3,7-8,10-12H2,(H,22,24)/t15-,16-/m1/s1
InChIKeyLFSVVGPZSLKEKF-HZPDHXFCSA-N
XLogP2.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 133266900) is N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1COC[C@H]1N1CCCCC1.
What is the InChIKey of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is LFSVVGPZSLKEKF-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c19-18(20,21)14-6-4-5-13(9-14)10-17(24)22-15-11-25-12-16(15)23-7-2-1-3-8-23/h4-6,9,15-16H,1-3,7-8,10-12H2,(H,22,24)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 356.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-4-piperidin-1-yloxolan-3-yl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 133266900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).