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

C17H21Cl2F3N2O — CID 46243972

IUPAC2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C17H21Cl2F3N2O/c1-15(2,17(20,21)22)24-14(25)9-16(6-3-7-23-10-16)11-4-5-12(18)13(19)8-11/h4-5,8,23H,3,6-7,9-10H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyVYCDKWHOKAECEW-MRXNPFEDSA-N
MW397.27 g/mol
LogP4.46
Rot. Bonds4

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

2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide (PubChem CID 46243972) has the molecular formula C17H21Cl2F3N2O and a molecular weight of 397.27 g/mol. Its IUPAC name is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide
PubChem CID46243972
Molecular FormulaC17H21Cl2F3N2O
Molecular Weight397.27 g/mol
Exact Mass396.10
IUPAC Name2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide
SMILESCC(C)(NC(=O)C[C@]1(c2ccc(Cl)c(Cl)c2)CCCNC1)C(F)(F)F
InChIInChI=1S/C17H21Cl2F3N2O/c1-15(2,17(20,21)22)24-14(25)9-16(6-3-7-23-10-16)11-4-5-12(18)13(19)8-11/h4-5,8,23H,3,6-7,9-10H2,1-2H3,(H,24,25)/t16-/m1/s1
InChIKeyVYCDKWHOKAECEW-MRXNPFEDSA-N
XLogP4.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.27
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide?
The IUPAC name of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide (CID 46243972) is 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide.
What is the SMILES notation for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide?
The canonical SMILES for 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide is CC(C)(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-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide?
The InChIKey is VYCDKWHOKAECEW-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21Cl2F3N2O/c1-15(2,17(20,21)22)24-14(25)9-16(6-3-7-23-10-16)11-4-5-12(18)13(19)8-11/h4-5,8,23H,3,6-7,9-10H2,1-2H3,(H,24,25)/t16-/m1/s1.
What are the key properties of 2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide?
2-[(3S)-3-(3,4-dichlorophenyl)piperidin-3-yl]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide has a molecular weight of 397.27 g/mol, XLogP of 4.46, 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-(1,1,1-trifluoro-2-methylpropan-2-yl)acetamide is sourced from PubChem (CID 46243972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).