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

C15H23F3N4O — CID 99829623

IUPAC(4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCn1nccc1CCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C15H23F3N4O/c1-14(2)10-22(9-6-12(14)15(16,17)18)13(23)19-7-4-11-5-8-20-21(11)3/h5,8,12H,4,6-7,9-10H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyYCYWASUSJWFOFX-LBPRGKRZSA-N
MW332.37 g/mol
LogP2.58
Rot. Bonds3

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

(4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 99829623) has the molecular formula C15H23F3N4O and a molecular weight of 332.37 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID99829623
Molecular FormulaC15H23F3N4O
Molecular Weight332.37 g/mol
Exact Mass332.18
IUPAC Name(4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCn1nccc1CCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1
InChIInChI=1S/C15H23F3N4O/c1-14(2)10-22(9-6-12(14)15(16,17)18)13(23)19-7-4-11-5-8-20-21(11)3/h5,8,12H,4,6-7,9-10H2,1-3H3,(H,19,23)/t12-/m0/s1
InChIKeyYCYWASUSJWFOFX-LBPRGKRZSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
3,3,3-trifluoro-1-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]propan-1-one
CID 129356837
1-(2,4-Dimethylcyclohexyl)-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75522810
2,2,6,6-Tetramethyl-N-[2-(2-methylpyrazol-3-YL)ethyl]morpholine-4-carboxamide
CID 99825378
(3S)-1-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidine-3-carboxamide
CID 99972040
3,3,3-trifluoro-1-(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)propan-1-one
CID 121021048
N-[(2R)-3-methyl-2-(2-methylpyrazol-3-yl)butyl]-2-azaspiro[4.4]nonane-2-carboxamide
CID 124848296
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methyl-4-(2-methylpropyl)piperidine-1-carboxamide
CID 126806352
1-[(3S)-4-methylpent-1-yn-3-yl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 129432476
2,2,2-Trifluoro-1-[4-[1-(2-methylpropyl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130387987
2,2,2-trifluoro-1-[(3S,4S)-3-methyl-4-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazol-3-yl]piperidin-1-yl]ethanone
CID 130388040

Frequently Asked Questions

What is the IUPAC name of (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 99829623) is (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is Cn1nccc1CCNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1.
What is the InChIKey of (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is YCYWASUSJWFOFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H23F3N4O/c1-14(2)10-22(9-6-12(14)15(16,17)18)13(23)19-7-4-11-5-8-20-21(11)3/h5,8,12H,4,6-7,9-10H2,1-3H3,(H,19,23)/t12-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
(4S)-3,3-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.58, 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-(2-methylpyrazol-3-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99829623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).