N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide

C18H27ClN2OS — CID 42565370

IUPACN-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
SMILESCSC[C@H](C)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H27ClN2OS/c1-14(13-23-2)21-11-9-15(10-12-21)7-8-18(22)20-17-6-4-3-5-16(17)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyVZZRQVYHPTUWFU-AWEZNQCLSA-N
MW354.95 g/mol
LogP4.52
Rot. Bonds7

About N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide

N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide (PubChem CID 42565370) has the molecular formula C18H27ClN2OS and a molecular weight of 354.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
PubChem CID42565370
Molecular FormulaC18H27ClN2OS
Molecular Weight354.95 g/mol
Exact Mass354.15
IUPAC NameN-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
SMILESCSC[C@H](C)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C18H27ClN2OS/c1-14(13-23-2)21-11-9-15(10-12-21)7-8-18(22)20-17-6-4-3-5-16(17)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)/t14-/m0/s1
InChIKeyVZZRQVYHPTUWFU-AWEZNQCLSA-N
XLogP4.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.95
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-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)-3-(1-methylpiperidin-4-yl)propanamide
CID 110858773
N-(2-chlorophenyl)-3-[1-(1-pyridin-3-ylpropan-2-yl)piperidin-4-yl]propanamide
CID 45234534
N-(2-chlorophenyl)-3-[1-(thian-4-yl)piperidin-4-yl]propanamide
CID 56707250
N-(2-chlorophenyl)-3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]propanamide
CID 42209722
N-[2-(dimethylamino)ethyl]-3-[1-[(2R)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide
CID 42456808
N-(2-chlorophenyl)-3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]propanamide
CID 26410836
3-[3-(2-chloroanilino)-3-oxopropyl]sulfanyl-2-methylpropanoic acid
CID 64916684
3-(4-aminopiperidin-1-yl)-N-(2-chlorophenyl)propanamide
CID 43556671
N-(2-cyanophenyl)-3-(1-methylpiperidin-4-yl)propanamide
CID 110864681
N-(2,4-dimethoxyphenyl)-3-[1-[(2R)-4-phenylbutan-2-yl]piperidin-4-yl]propanamide
CID 26320938
N-(2-acetamidophenyl)-3-cyclopentylpropanamide
CID 976246
N-(2-chlorophenyl)-1-methylpyrrolidine-3-carboxamide
CID 110858756

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
The IUPAC name of N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide (CID 42565370) is N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
The canonical SMILES for N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide is CSC[C@H](C)N1CCC(CCC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
The InChIKey is VZZRQVYHPTUWFU-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27ClN2OS/c1-14(13-23-2)21-11-9-15(10-12-21)7-8-18(22)20-17-6-4-3-5-16(17)19/h3-6,14-15H,7-13H2,1-2H3,(H,20,22)/t14-/m0/s1.
What are the key properties of N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide?
N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide has a molecular weight of 354.95 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-[1-[(2S)-1-methylsulfanylpropan-2-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 42565370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).