N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

C24H34N4O2S — CID 72704453

IUPACN-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(CC(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)c(C)s1
InChIInChI=1S/C24H34N4O2S/c1-16-21(25-17(2)31-16)14-22(29)26-20-8-6-7-18(13-20)15-28-11-9-19(10-12-28)23(30)27-24(3,4)5/h6-8,13,19H,9-12,14-15H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyYIKXIRZZHOYOGP-UHFFFAOYSA-N
MW442.63 g/mol
LogP4.07
Rot. Bonds6

About N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide

N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72704453) has the molecular formula C24H34N4O2S and a molecular weight of 442.63 g/mol. Its IUPAC name is N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID72704453
Molecular FormulaC24H34N4O2S
Molecular Weight442.63 g/mol
Exact Mass442.24
IUPAC NameN-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCc1nc(CC(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)c(C)s1
InChIInChI=1S/C24H34N4O2S/c1-16-21(25-17(2)31-16)14-22(29)26-20-8-6-7-18(13-20)15-28-11-9-19(10-12-28)23(30)27-24(3,4)5/h6-8,13,19H,9-12,14-15H2,1-5H3,(H,26,29)(H,27,30)
InChIKeyYIKXIRZZHOYOGP-UHFFFAOYSA-N
XLogP4.07
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.63
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 72704453) is N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is Cc1nc(CC(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)c(C)s1.
What is the InChIKey of N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is YIKXIRZZHOYOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2S/c1-16-21(25-17(2)31-16)14-22(29)26-20-8-6-7-18(13-20)15-28-11-9-19(10-12-28)23(30)27-24(3,4)5/h6-8,13,19H,9-12,14-15H2,1-5H3,(H,26,29)(H,27,30).
What are the key properties of N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 442.63 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[3-[[2-(2,5-dimethyl-1,3-thiazol-4-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72704453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).