N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide

C15H22F3N3OS — CID 138036989

IUPACN-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1nccs1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3OS/c1-20(14(22)3-2-13-19-7-11-23-13)12-4-8-21(9-5-12)10-6-15(16,17)18/h7,11-12H,2-6,8-10H2,1H3
InChIKeyCQKFHVCFQHDKGP-UHFFFAOYSA-N
MW349.42 g/mol
LogP2.95
Rot. Bonds6

About N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide

N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide (PubChem CID 138036989) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide
PubChem CID138036989
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC NameN-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide
SMILESCN(C(=O)CCc1nccs1)C1CCN(CCC(F)(F)F)CC1
InChIInChI=1S/C15H22F3N3OS/c1-20(14(22)3-2-13-19-7-11-23-13)12-4-8-21(9-5-12)10-6-15(16,17)18/h7,11-12H,2-6,8-10H2,1H3
InChIKeyCQKFHVCFQHDKGP-UHFFFAOYSA-N
XLogP2.95
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
The IUPAC name of N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide (CID 138036989) is N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide is CN(C(=O)CCc1nccs1)C1CCN(CCC(F)(F)F)CC1.
What is the InChIKey of N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
The InChIKey is CQKFHVCFQHDKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-20(14(22)3-2-13-19-7-11-23-13)12-4-8-21(9-5-12)10-6-15(16,17)18/h7,11-12H,2-6,8-10H2,1H3.
What are the key properties of N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide?
N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide has a molecular weight of 349.42 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(1,3-thiazol-2-yl)-N-[1-(3,3,3-trifluoropropyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 138036989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).