[(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone

C16H21F3N4OS — CID 67987667

IUPAC[(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)C2=CCC(c3cc(C(F)(F)F)n(C)n3)S2)C1
InChIInChI=1S/C16H21F3N4OS/c1-20-10-4-3-7-23(9-10)15(24)13-6-5-12(25-13)11-8-14(16(17,18)19)22(2)21-11/h6,8,10,12,20H,3-5,7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyKTPOCDIIGZPGPK-RWANSRKNSA-N
MW374.43 g/mol
LogP2.71
Rot. Bonds3

About [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone

[(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone (PubChem CID 67987667) has the molecular formula C16H21F3N4OS and a molecular weight of 374.43 g/mol. Its IUPAC name is [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone
PubChem CID67987667
Molecular FormulaC16H21F3N4OS
Molecular Weight374.43 g/mol
Exact Mass374.14
IUPAC Name[(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone
SMILESCN[C@@H]1CCCN(C(=O)C2=CCC(c3cc(C(F)(F)F)n(C)n3)S2)C1
InChIInChI=1S/C16H21F3N4OS/c1-20-10-4-3-7-23(9-10)15(24)13-6-5-12(25-13)11-8-14(16(17,18)19)22(2)21-11/h6,8,10,12,20H,3-5,7,9H2,1-2H3/t10-,12?/m1/s1
InChIKeyKTPOCDIIGZPGPK-RWANSRKNSA-N
XLogP2.71
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone?
The IUPAC name of [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone (CID 67987667) is [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone.
What is the SMILES notation for [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone?
The canonical SMILES for [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone is CN[C@@H]1CCCN(C(=O)C2=CCC(c3cc(C(F)(F)F)n(C)n3)S2)C1.
What is the InChIKey of [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone?
The InChIKey is KTPOCDIIGZPGPK-RWANSRKNSA-N. The full InChI is InChI=1S/C16H21F3N4OS/c1-20-10-4-3-7-23(9-10)15(24)13-6-5-12(25-13)11-8-14(16(17,18)19)22(2)21-11/h6,8,10,12,20H,3-5,7,9H2,1-2H3/t10-,12?/m1/s1.
What are the key properties of [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone?
[(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone has a molecular weight of 374.43 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(methylamino)piperidin-1-yl]-[2-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-2,3-dihydrothiophen-5-yl]methanone is sourced from PubChem (CID 67987667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).