N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide

C21H24Cl2N2OS — CID 22396246

IUPACN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2OS/c22-19-7-6-16(14-20(19)23)15-25-11-8-17(9-12-25)24-21(26)10-13-27-18-4-2-1-3-5-18/h1-7,14,17H,8-13,15H2,(H,24,26)
InChIKeyZLABQSAZFFMCSL-UHFFFAOYSA-N
MW423.41 g/mol
LogP5.26
Rot. Bonds7

About N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide (PubChem CID 22396246) has the molecular formula C21H24Cl2N2OS and a molecular weight of 423.41 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
PubChem CID22396246
Molecular FormulaC21H24Cl2N2OS
Molecular Weight423.41 g/mol
Exact Mass422.10
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
SMILESO=C(CCSc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2OS/c22-19-7-6-16(14-20(19)23)15-25-11-8-17(9-12-25)24-21(26)10-13-27-18-4-2-1-3-5-18/h1-7,14,17H,8-13,15H2,(H,24,26)
InChIKeyZLABQSAZFFMCSL-UHFFFAOYSA-N
XLogP5.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.41
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
CID 173119954
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-N'-pyridin-2-ylbutanediamide
CID 20794188
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-phenylbut-3-enamide
CID 68884586
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240
methyl 4-[3-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]benzoate
CID 68955678
1-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-N-(1-phenylethyl)benzene-1,2-dicarboxamide
CID 20794185
4-[4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutan-2-yl]benzoic acid
CID 24745154
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-phenoxybutanamide
CID 24504189
N-(1-benzylpiperidin-4-yl)-3,4-dichlorobenzamide
CID 17250317
5-[[5-benzyl-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-benzylpiperidin-4-yl)pentanamide
CID 42741962
2-(3,4-dichlorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 60566359

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide (CID 22396246) is N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide is O=C(CCSc1ccccc1)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide?
The InChIKey is ZLABQSAZFFMCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2OS/c22-19-7-6-16(14-20(19)23)15-25-11-8-17(9-12-25)24-21(26)10-13-27-18-4-2-1-3-5-18/h1-7,14,17H,8-13,15H2,(H,24,26).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide?
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide has a molecular weight of 423.41 g/mol, XLogP of 5.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide is sourced from PubChem (CID 22396246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).