3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide

C24H25ClFN3OS — CID 23108491

IUPAC3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1cnc(C2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C24H25ClFN3OS/c1-16-21(3-2-4-22(16)25)23(30)27-13-20-14-28-24(31-20)18-9-11-29(12-10-18)15-17-5-7-19(26)8-6-17/h2-8,14,18H,9-13,15H2,1H3,(H,27,30)
InChIKeyHQKMSXHFXOFBHN-UHFFFAOYSA-N
MW458.00 g/mol
LogP5.55
Rot. Bonds6

About 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide

3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide (PubChem CID 23108491) has the molecular formula C24H25ClFN3OS and a molecular weight of 458.00 g/mol. Its IUPAC name is 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide.

Molecular Properties

Compound Name3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
PubChem CID23108491
Molecular FormulaC24H25ClFN3OS
Molecular Weight458.00 g/mol
Exact Mass457.14
IUPAC Name3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
SMILESCc1c(Cl)cccc1C(=O)NCc1cnc(C2CCN(Cc3ccc(F)cc3)CC2)s1
InChIInChI=1S/C24H25ClFN3OS/c1-16-21(3-2-4-22(16)25)23(30)27-13-20-14-28-24(31-20)18-9-11-29(12-10-18)15-17-5-7-19(26)8-6-17/h2-8,14,18H,9-13,15H2,1H3,(H,27,30)
InChIKeyHQKMSXHFXOFBHN-UHFFFAOYSA-N
XLogP5.55
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.00
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[4-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide
CID 23108813
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]-3-pyridinyl]methyl]-2-methylbenzamide
CID 57499786
3-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108849
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 23108853
5-[[(3-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 107096018
2-chloro-6-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]benzamide
CID 23108497
5-fluoro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylbenzamide
CID 57430092
N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]phenyl]methyl]-2-methylsulfanylbenzamide
CID 23108417
N-(2,3-dimethylphenyl)-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 45012649
N-[(4-fluorophenyl)methyl]-6-methyl-2-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 46044834
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-3-fluoro-2-methylbenzamide
CID 10200703
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methanone
CID 3300598

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
The IUPAC name of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide (CID 23108491) is 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide.
What is the SMILES notation for 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
The canonical SMILES for 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide is Cc1c(Cl)cccc1C(=O)NCc1cnc(C2CCN(Cc3ccc(F)cc3)CC2)s1.
What is the InChIKey of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
The InChIKey is HQKMSXHFXOFBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClFN3OS/c1-16-21(3-2-4-22(16)25)23(30)27-13-20-14-28-24(31-20)18-9-11-29(12-10-18)15-17-5-7-19(26)8-6-17/h2-8,14,18H,9-13,15H2,1H3,(H,27,30).
What are the key properties of 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide?
3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide has a molecular weight of 458.00 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1,3-thiazol-5-yl]methyl]-2-methylbenzamide is sourced from PubChem (CID 23108491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).