2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

C16H19Cl2F3N2O — CID 46243975

IUPAC2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C16H19Cl2F3N2O/c1-10(16(19,20)21)23-14(24)8-15(5-2-6-22-9-15)11-3-4-12(17)13(18)7-11/h3-4,7,10,22H,2,5-6,8-9H2,1H3,(H,23,24)/t10-,15+/m0/s1
InChIKeyAEWUBGBEDRRXMG-ZUZCIYMTSA-N
MW383.24 g/mol
LogP4.07
Rot. Bonds4

About 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (PubChem CID 46243975) has the molecular formula C16H19Cl2F3N2O and a molecular weight of 383.24 g/mol. Its IUPAC name is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
PubChem CID46243975
Molecular FormulaC16H19Cl2F3N2O
Molecular Weight383.24 g/mol
Exact Mass382.08
IUPAC Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C16H19Cl2F3N2O/c1-10(16(19,20)21)23-14(24)8-15(5-2-6-22-9-15)11-3-4-12(17)13(18)7-11/h3-4,7,10,22H,2,5-6,8-9H2,1H3,(H,23,24)/t10-,15+/m0/s1
InChIKeyAEWUBGBEDRRXMG-ZUZCIYMTSA-N
XLogP4.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide (CID 46243975) is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide.
What is the SMILES notation for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The canonical SMILES for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is C[C@H](NC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F.
What is the InChIKey of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
The InChIKey is AEWUBGBEDRRXMG-ZUZCIYMTSA-N. The full InChI is InChI=1S/C16H19Cl2F3N2O/c1-10(16(19,20)21)23-14(24)8-15(5-2-6-22-9-15)11-3-4-12(17)13(18)7-11/h3-4,7,10,22H,2,5-6,8-9H2,1H3,(H,23,24)/t10-,15+/m0/s1.
What are the key properties of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide?
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide has a molecular weight of 383.24 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide is sourced from PubChem (CID 46243975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).