N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide

C27H31FN4O2S — CID 55838677

IUPACN-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)n2)c(C)c1
InChIInChI=1S/C27H31FN4O2S/c1-17-12-18(2)25(19(3)13-17)23-16-35-27(30-23)31-24(33)15-32-10-8-21(9-11-32)26(34)29-14-20-4-6-22(28)7-5-20/h4-7,12-13,16,21H,8-11,14-15H2,1-3H3,(H,29,34)(H,30,31,33)
InChIKeyDWMJZNZCJHOXJJ-UHFFFAOYSA-N
MW494.64 g/mol
LogP4.84
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide (PubChem CID 55838677) has the molecular formula C27H31FN4O2S and a molecular weight of 494.64 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
PubChem CID55838677
Molecular FormulaC27H31FN4O2S
Molecular Weight494.64 g/mol
Exact Mass494.22
IUPAC NameN-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide
SMILESCc1cc(C)c(-c2csc(NC(=O)CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)n2)c(C)c1
InChIInChI=1S/C27H31FN4O2S/c1-17-12-18(2)25(19(3)13-17)23-16-35-27(30-23)31-24(33)15-32-10-8-21(9-11-32)26(34)29-14-20-4-6-22(28)7-5-20/h4-7,12-13,16,21H,8-11,14-15H2,1-3H3,(H,29,34)(H,30,31,33)
InChIKeyDWMJZNZCJHOXJJ-UHFFFAOYSA-N
XLogP4.84
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxamide
CID 24594905
2-piperidin-1-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 24593582
2-(4-fluorophenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7597175
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
1-[2-(2,4-dimethylanilino)-2-oxoethyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 16910167
2-(4-methylphenyl)-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
CID 43951110
1-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-N-pentylpiperidine-4-carboxamide
CID 55852922
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 3218991
N-[(4-fluorophenyl)methyl]-1-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 16910281
1-[2-(benzylamino)-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 52682822
1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55837389
1-[2-[1-(2-chlorophenyl)ethylamino]-2-oxoethyl]-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 60512121

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide (CID 55838677) is N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)CN3CCC(C(=O)NCc4ccc(F)cc4)CC3)n2)c(C)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
The InChIKey is DWMJZNZCJHOXJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O2S/c1-17-12-18(2)25(19(3)13-17)23-16-35-27(30-23)31-24(33)15-32-10-8-21(9-11-32)26(34)29-14-20-4-6-22(28)7-5-20/h4-7,12-13,16,21H,8-11,14-15H2,1-3H3,(H,29,34)(H,30,31,33).
What are the key properties of N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide has a molecular weight of 494.64 g/mol, XLogP of 4.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-[2-oxo-2-[[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]amino]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55838677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).