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

C15H17Cl2F3N2O — CID 46243973

IUPAC2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)NCC(F)(F)F
InChIInChI=1S/C15H17Cl2F3N2O/c16-11-3-2-10(6-12(11)17)14(4-1-5-21-8-14)7-13(23)22-9-15(18,19)20/h2-3,6,21H,1,4-5,7-9H2,(H,22,23)/t14-/m1/s1
InChIKeyMSMNKUNEOXKVHY-CQSZACIVSA-N
MW369.21 g/mol
LogP3.68
Rot. Bonds4

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

2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 46243973) has the molecular formula C15H17Cl2F3N2O and a molecular weight of 369.21 g/mol. Its IUPAC name is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID46243973
Molecular FormulaC15H17Cl2F3N2O
Molecular Weight369.21 g/mol
Exact Mass368.07
IUPAC Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)NCC(F)(F)F
InChIInChI=1S/C15H17Cl2F3N2O/c16-11-3-2-10(6-12(11)17)14(4-1-5-21-8-14)7-13(23)22-9-15(18,19)20/h2-3,6,21H,1,4-5,7-9H2,(H,22,23)/t14-/m1/s1
InChIKeyMSMNKUNEOXKVHY-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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Related Compounds

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US9096515, 33a-(R)-Isomer
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2-(3,4-dichlorophenyl)-N-(2-fluoroethyl)cyclopent-1-enecarboxamide
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(1R,6S)-6-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane-1-carboxamide
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CID 72202713
4-(3-Chlorophenyl)-3-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 72202849
4-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 72202850
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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 46243973) is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)NCC(F)(F)F.
What is the InChIKey of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MSMNKUNEOXKVHY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H17Cl2F3N2O/c16-11-3-2-10(6-12(11)17)14(4-1-5-21-8-14)7-13(23)22-9-15(18,19)20/h2-3,6,21H,1,4-5,7-9H2,(H,22,23)/t14-/m1/s1.
What are the key properties of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide 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 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 46243973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).