N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H18F3N3O2S — CID 75439992

IUPACN-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)C2CCCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C14H18F3N3O2S/c1-8-5-10(11(18)21)13(23-8)19-12(22)9-3-2-4-20(6-9)7-14(15,16)17/h5,9H,2-4,6-7H2,1H3,(H2,18,21)(H,19,22)
InChIKeyNINQMNLDGZAZFR-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.37
Rot. Bonds4

About N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 75439992) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID75439992
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC NameN-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)C2CCCN(CC(F)(F)F)C2)s1
InChIInChI=1S/C14H18F3N3O2S/c1-8-5-10(11(18)21)13(23-8)19-12(22)9-3-2-4-20(6-9)7-14(15,16)17/h5,9H,2-4,6-7H2,1H3,(H2,18,21)(H,19,22)
InChIKeyNINQMNLDGZAZFR-UHFFFAOYSA-N
XLogP2.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 75439992) is N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1cc(C(N)=O)c(NC(=O)C2CCCN(CC(F)(F)F)C2)s1.
What is the InChIKey of N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is NINQMNLDGZAZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2S/c1-8-5-10(11(18)21)13(23-8)19-12(22)9-3-2-4-20(6-9)7-14(15,16)17/h5,9H,2-4,6-7H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 349.38 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 75439992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).