(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

C15H22F3N3OS — CID 99827606

IUPAC(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1cnc(CCNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)s1
InChIInChI=1S/C15H22F3N3OS/c1-10-8-20-12(23-10)4-6-19-13(22)21-7-5-11(15(16,17)18)14(2,3)9-21/h8,11H,4-7,9H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyLCJZUICMWYQHSL-NSHDSACASA-N
MW349.42 g/mol
LogP3.61
Rot. Bonds3

About (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide

(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 99827606) has the molecular formula C15H22F3N3OS and a molecular weight of 349.42 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID99827606
Molecular FormulaC15H22F3N3OS
Molecular Weight349.42 g/mol
Exact Mass349.14
IUPAC Name(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCc1cnc(CCNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)s1
InChIInChI=1S/C15H22F3N3OS/c1-10-8-20-12(23-10)4-6-19-13(22)21-7-5-11(15(16,17)18)14(2,3)9-21/h8,11H,4-7,9H2,1-3H3,(H,19,22)/t11-/m0/s1
InChIKeyLCJZUICMWYQHSL-NSHDSACASA-N
XLogP3.61
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 99827606) is (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is Cc1cnc(CCNC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)s1.
What is the InChIKey of (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is LCJZUICMWYQHSL-NSHDSACASA-N. The full InChI is InChI=1S/C15H22F3N3OS/c1-10-8-20-12(23-10)4-6-19-13(22)21-7-5-11(15(16,17)18)14(2,3)9-21/h8,11H,4-7,9H2,1-3H3,(H,19,22)/t11-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 349.42 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99827606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).