(2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide

C15H20F3N3OS — CID 138000186

IUPAC(2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)11-8-23-12(21-11)5-7-20-14(22)10-2-1-6-19-13(10)9-3-4-9/h8-10,13,19H,1-7H2,(H,20,22)/t10-,13-/m1/s1
InChIKeyHOMUMJGKKCTBHO-ZWNOBZJWSA-N
MW347.41 g/mol
LogP2.60
Rot. Bonds5

About (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide

(2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide (PubChem CID 138000186) has the molecular formula C15H20F3N3OS and a molecular weight of 347.41 g/mol. Its IUPAC name is (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide
PubChem CID138000186
Molecular FormulaC15H20F3N3OS
Molecular Weight347.41 g/mol
Exact Mass347.13
IUPAC Name(2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1CCCN[C@@H]1C1CC1
InChIInChI=1S/C15H20F3N3OS/c16-15(17,18)11-8-23-12(21-11)5-7-20-14(22)10-2-1-6-19-13(10)9-3-4-9/h8-10,13,19H,1-7H2,(H,20,22)/t10-,13-/m1/s1
InChIKeyHOMUMJGKKCTBHO-ZWNOBZJWSA-N
XLogP2.60
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide (CID 138000186) is (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide is O=C(NCCc1nc(C(F)(F)F)cs1)[C@@H]1CCCN[C@@H]1C1CC1.
What is the InChIKey of (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide?
The InChIKey is HOMUMJGKKCTBHO-ZWNOBZJWSA-N. The full InChI is InChI=1S/C15H20F3N3OS/c16-15(17,18)11-8-23-12(21-11)5-7-20-14(22)10-2-1-6-19-13(10)9-3-4-9/h8-10,13,19H,1-7H2,(H,20,22)/t10-,13-/m1/s1.
What are the key properties of (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide?
(2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclopropyl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 138000186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).