N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide

C19H27ClN2O2S — CID 25306946

IUPACN-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
SMILESCSCCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C19H27ClN2O2S/c1-25-12-10-19(24)22-11-4-5-15(14-22)8-9-18(23)21-13-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyZDOSAKMETWYRRS-HNNXBMFYSA-N
MW382.96 g/mol
LogP3.73
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide

N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide (PubChem CID 25306946) has the molecular formula C19H27ClN2O2S and a molecular weight of 382.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
PubChem CID25306946
Molecular FormulaC19H27ClN2O2S
Molecular Weight382.96 g/mol
Exact Mass382.15
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide
SMILESCSCCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C19H27ClN2O2S/c1-25-12-10-19(24)22-11-4-5-15(14-22)8-9-18(23)21-13-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,21,23)/t15-/m0/s1
InChIKeyZDOSAKMETWYRRS-HNNXBMFYSA-N
XLogP3.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.96
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[(2-chlorophenyl)methyl]-3-[(3R)-1-(4-methylsulfanylbenzoyl)piperidin-3-yl]propanamide
CID 42415691
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]-N-[(2-chlorophenyl)methyl]propanamide
CID 42462767
N-[(2-chlorophenyl)methyl]-3-[1-(2-imidazol-1-ylacetyl)piperidin-3-yl]propanamide
CID 72910051
N-[(2-chlorophenyl)methyl]-3-[1-(3-methylthiophene-2-carbonyl)piperidin-3-yl]propanamide
CID 45236016
N-[(2-fluorophenyl)methyl]-3-[1-(4-phenylbutanoyl)piperidin-3-yl]propanamide
CID 45228960
N-[(2-chlorophenyl)methyl]-3-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]propanamide
CID 45228946
N-[(2-chlorophenyl)methyl]-3-[1-(3,6-dimethylpyrazin-2-yl)piperidin-3-yl]propanamide
CID 72937068
3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 26315418
1-[3-(2-chloroethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63396274
N-[(2-chlorophenyl)methyl]-3-[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 72856039
N-[(2-fluorophenyl)methyl]-3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 45197616
N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
CID 25452182

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide (CID 25306946) is N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide is CSCCC(=O)N1CCC[C@@H](CCC(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide?
The InChIKey is ZDOSAKMETWYRRS-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H27ClN2O2S/c1-25-12-10-19(24)22-11-4-5-15(14-22)8-9-18(23)21-13-16-6-2-3-7-17(16)20/h2-3,6-7,15H,4-5,8-14H2,1H3,(H,21,23)/t15-/m0/s1.
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide has a molecular weight of 382.96 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-methylsulfanylpropanoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 25306946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).