N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

C14H18F3N3O2S — CID 110718169

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cs1
InChIInChI=1S/C14H18F3N3O2S/c1-9-18-11(8-23-9)7-19(2)12(21)10-3-5-20(6-4-10)13(22)14(15,16)17/h8,10H,3-7H2,1-2H3
InChIKeySXIZNVPZSVXYLY-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.21
Rot. Bonds3

About N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (PubChem CID 110718169) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
PubChem CID110718169
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
SMILESCc1nc(CN(C)C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cs1
InChIInChI=1S/C14H18F3N3O2S/c1-9-18-11(8-23-9)7-19(2)12(21)10-3-5-20(6-4-10)13(22)14(15,16)17/h8,10H,3-7H2,1-2H3
InChIKeySXIZNVPZSVXYLY-UHFFFAOYSA-N
XLogP2.21
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide (CID 110718169) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is Cc1nc(CN(C)C(=O)C2CCN(C(=O)C(F)(F)F)CC2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
The InChIKey is SXIZNVPZSVXYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-9-18-11(8-23-9)7-19(2)12(21)10-3-5-20(6-4-10)13(22)14(15,16)17/h8,10H,3-7H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 110718169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).