N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide

C15H17Cl2F3N2O — CID 46244924

IUPACN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C15H17Cl2F3N2O/c16-11-3-2-10(8-12(11)17)14(4-1-6-21-9-14)5-7-22-13(23)15(18,19)20/h2-3,8,21H,1,4-7,9H2,(H,22,23)/t14-/m1/s1
InChIKeyDDFDSCSFLFQAAO-CQSZACIVSA-N
MW369.21 g/mol
LogP3.68
Rot. Bonds4

About N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide

N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 46244924) has the molecular formula C15H17Cl2F3N2O and a molecular weight of 369.21 g/mol. Its IUPAC name is N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID46244924
Molecular FormulaC15H17Cl2F3N2O
Molecular Weight369.21 g/mol
Exact Mass368.07
IUPAC NameN-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C15H17Cl2F3N2O/c16-11-3-2-10(8-12(11)17)14(4-1-6-21-9-14)5-7-22-13(23)15(18,19)20/h2-3,8,21H,1,4-7,9H2,(H,22,23)/t14-/m1/s1
InChIKeyDDFDSCSFLFQAAO-CQSZACIVSA-N
XLogP3.68
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.21
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide (CID 46244924) is N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide is O=C(NCC[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F.
What is the InChIKey of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is DDFDSCSFLFQAAO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17Cl2F3N2O/c16-11-3-2-10(8-12(11)17)14(4-1-6-21-9-14)5-7-22-13(23)15(18,19)20/h2-3,8,21H,1,4-7,9H2,(H,22,23)/t14-/m1/s1.
What are the key properties of N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 369.21 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 46244924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).