N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide

C21H19ClF3N3OS — CID 46395476

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
SMILESCc1cc2c(N3CCC(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)nccc2s1
InChIInChI=1S/C21H19ClF3N3OS/c1-12-10-15-18(30-12)4-7-26-19(15)28-8-5-13(6-9-28)20(29)27-14-2-3-17(22)16(11-14)21(23,24)25/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,27,29)
InChIKeyXICXKKXUDLJHPK-UHFFFAOYSA-N
MW453.92 g/mol
LogP6.13
Rot. Bonds3

About N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide (PubChem CID 46395476) has the molecular formula C21H19ClF3N3OS and a molecular weight of 453.92 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
PubChem CID46395476
Molecular FormulaC21H19ClF3N3OS
Molecular Weight453.92 g/mol
Exact Mass453.09
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
SMILESCc1cc2c(N3CCC(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)nccc2s1
InChIInChI=1S/C21H19ClF3N3OS/c1-12-10-15-18(30-12)4-7-26-19(15)28-8-5-13(6-9-28)20(29)27-14-2-3-17(22)16(11-14)21(23,24)25/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,27,29)
InChIKeyXICXKKXUDLJHPK-UHFFFAOYSA-N
XLogP6.13
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.92
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 155566952
N-(4-chloro-2-fluorophenyl)-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide
CID 46395464
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-[4-methyl-3-(trifluoromethyl)phenyl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 11537864
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31816573
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 126184126
N-(3-chloro-4-methoxyphenyl)-1-(3-methoxy-2-pyridinyl)piperidine-4-carboxamide
CID 155538729
N-(3-chloro-4-methoxyphenyl)-1-isoquinolin-1-ylpiperidine-4-carboxamide
CID 155544056
N-[4-chloro-3-(trifluoromethyl)phenyl]thiolane-3-carboxamide
CID 110863729
N-(4-ethylphenyl)-1-thieno[3,2-c]pyridin-4-ylpiperidine-4-carboxamide
CID 46395494
N-(3-chloro-4-methylphenyl)-1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 91892451
N-cycloheptyl-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-3-carboxamide
CID 50839363

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide (CID 46395476) is N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide is Cc1cc2c(N3CCC(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)CC3)nccc2s1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
The InChIKey is XICXKKXUDLJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N3OS/c1-12-10-15-18(30-12)4-7-26-19(15)28-8-5-13(6-9-28)20(29)27-14-2-3-17(22)16(11-14)21(23,24)25/h2-4,7,10-11,13H,5-6,8-9H2,1H3,(H,27,29).
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide has a molecular weight of 453.92 g/mol, XLogP of 6.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-1-(2-methylthieno[3,2-c]pyridin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 46395476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).