N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

C17H25F3N4O3S — CID 167903662

IUPACN-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1csc(NC(=O)N2CCC(C3CCNCC3)CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4OS.C2HF3O2/c1-11-10-21-14(17-11)18-15(20)19-8-4-13(5-9-19)12-2-6-16-7-3-12;3-2(4,5)1(6)7/h10,12-13,16H,2-9H2,1H3,(H,17,18,20);(H,6,7)
InChIKeyYNJCPDIJOLGIBN-UHFFFAOYSA-N
MW422.47 g/mol
LogP3.33
Rot. Bonds2

About N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid

N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 167903662) has the molecular formula C17H25F3N4O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID167903662
Molecular FormulaC17H25F3N4O3S
Molecular Weight422.47 g/mol
Exact Mass422.16
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1csc(NC(=O)N2CCC(C3CCNCC3)CC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H24N4OS.C2HF3O2/c1-11-10-21-14(17-11)18-15(20)19-8-4-13(5-9-19)12-2-6-16-7-3-12;3-2(4,5)1(6)7/h10,12-13,16H,2-9H2,1H3,(H,17,18,20);(H,6,7)
InChIKeyYNJCPDIJOLGIBN-UHFFFAOYSA-N
XLogP3.33
TPSA94.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-methyl-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47194180
4-(4-fluorophenoxy)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 145485976
4-benzyl-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 86986848
4-[(4-fluorophenyl)-hydroxymethyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 111109253
N-(4-methylsulfanyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 163951642
N-(4-methyl-1,3-thiazol-2-yl)-2-piperazin-1-ylpropanamide
CID 43130749
2-[1-[(4-methyl-1,3-thiazol-2-yl)carbamoyl]azetidin-3-yl]propanoic acid
CID 116682851
3-hydroxy-4-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 138997096
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
4-N-(2-methoxyphenyl)-1-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 86986741
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
CID 87173211

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid (CID 167903662) is N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is Cc1csc(NC(=O)N2CCC(C3CCNCC3)CC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is YNJCPDIJOLGIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4OS.C2HF3O2/c1-11-10-21-14(17-11)18-15(20)19-8-4-13(5-9-19)12-2-6-16-7-3-12;3-2(4,5)1(6)7/h10,12-13,16H,2-9H2,1H3,(H,17,18,20);(H,6,7).
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid?
N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 422.47 g/mol, XLogP of 3.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-4-piperidin-4-ylpiperidine-1-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 167903662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).