2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide

C24H24Cl3N3OS — CID 22396168

IUPAC2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H24Cl3N3OS/c1-15-22(29-24(32-15)17-3-5-18(25)6-4-17)13-23(31)28-19-8-10-30(11-9-19)14-16-2-7-20(26)21(27)12-16/h2-7,12,19H,8-11,13-14H2,1H3,(H,28,31)
InChIKeyCFLOHFVXQNMLMT-UHFFFAOYSA-N
MW508.90 g/mol
LogP6.40
Rot. Bonds6

About 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide

2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 22396168) has the molecular formula C24H24Cl3N3OS and a molecular weight of 508.90 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
PubChem CID22396168
Molecular FormulaC24H24Cl3N3OS
Molecular Weight508.90 g/mol
Exact Mass507.07
IUPAC Name2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide
SMILESCc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C24H24Cl3N3OS/c1-15-22(29-24(32-15)17-3-5-18(25)6-4-17)13-23(31)28-19-8-10-30(11-9-19)14-16-2-7-20(26)21(27)12-16/h2-7,12,19H,8-11,13-14H2,1H3,(H,28,31)
InChIKeyCFLOHFVXQNMLMT-UHFFFAOYSA-N
XLogP6.40
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.90
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-methoxyacetamide
CID 86993237
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
2-(3,4-dichlorophenyl)-N-(1-ethylpiperidin-4-yl)acetamide
CID 17173850
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
lithium;4-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]amino]-4-oxobutanoic acid;hydride
CID 173119954
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide
CID 55428451
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-phenylsulfanylpropanamide
CID 22396246
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
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]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55512787
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yloxyacetamide
CID 22396240

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide (CID 22396168) is 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide is Cc1sc(-c2ccc(Cl)cc2)nc1CC(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is CFLOHFVXQNMLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3N3OS/c1-15-22(29-24(32-15)17-3-5-18(25)6-4-17)13-23(31)28-19-8-10-30(11-9-19)14-16-2-7-20(26)21(27)12-16/h2-7,12,19H,8-11,13-14H2,1H3,(H,28,31).
What are the key properties of 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide?
2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 508.90 g/mol, XLogP of 6.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-5-methyl-1,3-thiazol-4-yl]-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 22396168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).