2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide

C17H23ClN2OS — CID 170718764

IUPAC2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide
SMILESCS/C=C/CNC(=O)N1CCC(C)CC1c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2OS/c1-13-7-9-20(17(21)19-8-4-10-22-2)16(11-13)14-5-3-6-15(18)12-14/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H,19,21)/b10-4+
InChIKeyDDLCJYPWHYLXLB-ONNFQVAWSA-N
MW338.90 g/mol
LogP4.70
Rot. Bonds4

About 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide

2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide (PubChem CID 170718764) has the molecular formula C17H23ClN2OS and a molecular weight of 338.90 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide
PubChem CID170718764
Molecular FormulaC17H23ClN2OS
Molecular Weight338.90 g/mol
Exact Mass338.12
IUPAC Name2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide
SMILESCS/C=C/CNC(=O)N1CCC(C)CC1c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2OS/c1-13-7-9-20(17(21)19-8-4-10-22-2)16(11-13)14-5-3-6-15(18)12-14/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H,19,21)/b10-4+
InChIKeyDDLCJYPWHYLXLB-ONNFQVAWSA-N
XLogP4.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide (CID 170718764) is 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide is CS/C=C/CNC(=O)N1CCC(C)CC1c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide?
The InChIKey is DDLCJYPWHYLXLB-ONNFQVAWSA-N. The full InChI is InChI=1S/C17H23ClN2OS/c1-13-7-9-20(17(21)19-8-4-10-22-2)16(11-13)14-5-3-6-15(18)12-14/h3-6,10,12-13,16H,7-9,11H2,1-2H3,(H,19,21)/b10-4+.
What are the key properties of 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide?
2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide has a molecular weight of 338.90 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-methyl-N-[(E)-3-methylsulfanylprop-2-enyl]piperidine-1-carboxamide is sourced from PubChem (CID 170718764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).