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

C14H18F3N3O2S — CID 97146312

IUPAC(3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCN(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)/t9-/m1/s1
InChIKeyNINQMNLDGZAZFR-SECBINFHSA-N
MW349.38 g/mol
LogP2.37
Rot. Bonds4

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

(3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 97146312) has the molecular formula C14H18F3N3O2S and a molecular weight of 349.38 g/mol. Its IUPAC name is (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID97146312
Molecular FormulaC14H18F3N3O2S
Molecular Weight349.38 g/mol
Exact Mass349.11
IUPAC Name(3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCN(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)/t9-/m1/s1
InChIKeyNINQMNLDGZAZFR-SECBINFHSA-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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Related Compounds

(3S)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97146313
N-(6-cyclopropyl-2-methylpyrimidin-4-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 127722832
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
N-(3,4-dicyanophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75497020
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 75405098
(3R)-N-(3-fluoro-4-nitrophenyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97149101
N-methyl-6-[[(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]pyridine-2-carboxamide
CID 97149083
(3R)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071734
(3S)-N-[2-(tert-butylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 97071735
(3R)-N-(1H-indazol-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124627006
N-(3-hydroxy-3-methylcyclobutyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 136582837
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 111120168

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 97146312) is (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is Cc1cc(C(N)=O)c(NC(=O)[C@@H]2CCCN(CC(F)(F)F)C2)s1.
What is the InChIKey of (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is NINQMNLDGZAZFR-SECBINFHSA-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)/t9-/m1/s1.
What are the key properties of (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
(3R)-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 (3R)-N-(3-carbamoyl-5-methylthiophen-2-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 97146312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).