N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide

C22H27ClN2OS — CID 11502272

IUPACN-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide
SMILESCN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/m1/s1
InChIKeyLAZPRLXGVMZIOA-CTNGQTDRSA-N
MW402.99 g/mol
LogP4.42
Rot. Bonds7

About N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide

N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide (PubChem CID 11502272) has the molecular formula C22H27ClN2OS and a molecular weight of 402.99 g/mol. Its IUPAC name is N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide
PubChem CID11502272
Molecular FormulaC22H27ClN2OS
Molecular Weight402.99 g/mol
Exact Mass402.15
IUPAC NameN-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide
SMILESCN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCc2ccccc2)C1
InChIInChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/m1/s1
InChIKeyLAZPRLXGVMZIOA-CTNGQTDRSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.99
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide 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

Jzad-IV-22
CID 145986349
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-1-piperidin-1-yl-ethanone
CID 44398190
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-isopropyl-acetamide
CID 44398305
2-(4-benzylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 2441640
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(ethylamino)butan-1-one
CID 25221145
1-(4-((4-Chlorophenyl)(phenyl)methyl)piperazin-1-yl)-4-(isobutylamino)butan-1-one
CID 25221148
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-acetamide
CID 44398303
2-[4-(4-Chloro-phenyl)-1-methyl-piperidin-3-ylmethylsulfanyl]-N-hydroxy-acetamide
CID 44398451
2-((bis(4-chlorophenyl)methyl)thio)-N-(3-phenylpropyl)acetamide
CID 76332747
N-[(2-Chlorophenyl)methyl]-3-{[(3-chlorophenyl)methyl]sulfanyl}propanamide
CID 4219372
3-[(3-chlorobenzyl)thio]-N-(2-phenylethyl)propanamide
CID 4219374
N-Benzyl-2-[(3R,4S)-4-(4-chloro-phenyl)-1-methyl-piperidin-3-yl]-acetamide
CID 11314302

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide?
The IUPAC name of N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide (CID 11502272) is N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide is CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](CSCC(=O)NCc2ccccc2)C1.
What is the InChIKey of N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide?
The InChIKey is LAZPRLXGVMZIOA-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H27ClN2OS/c1-25-12-11-21(18-7-9-20(23)10-8-18)19(14-25)15-27-16-22(26)24-13-17-5-3-2-4-6-17/h2-10,19,21H,11-16H2,1H3,(H,24,26)/t19-,21+/m1/s1.
What are the key properties of N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide?
N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide has a molecular weight of 402.99 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[(3R,4R)-4-(4-chlorophenyl)-1-methylpiperidin-3-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 11502272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).