(4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide

C16H25F3N4O — CID 99833781

IUPAC(4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H](CNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)Cn1cccn1
InChIInChI=1S/C16H25F3N4O/c1-12(10-23-7-4-6-21-23)9-20-14(24)22-8-5-13(16(17,18)19)15(2,3)11-22/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,20,24)/t12-,13-/m0/s1
InChIKeyIZGWYOMLIIFTJY-STQMWFEESA-N
MW346.40 g/mol
LogP3.14
Rot. Bonds4

About (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide

(4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 99833781) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID99833781
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name(4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESC[C@@H](CNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)Cn1cccn1
InChIInChI=1S/C16H25F3N4O/c1-12(10-23-7-4-6-21-23)9-20-14(24)22-8-5-13(16(17,18)19)15(2,3)11-22/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,20,24)/t12-,13-/m0/s1
InChIKeyIZGWYOMLIIFTJY-STQMWFEESA-N
XLogP3.14
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide 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 (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 99833781) is (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide is C[C@@H](CNC(=O)N1CC[C@H](C(F)(F)F)C(C)(C)C1)Cn1cccn1.
What is the InChIKey of (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is IZGWYOMLIIFTJY-STQMWFEESA-N. The full InChI is InChI=1S/C16H25F3N4O/c1-12(10-23-7-4-6-21-23)9-20-14(24)22-8-5-13(16(17,18)19)15(2,3)11-22/h4,6-7,12-13H,5,8-11H2,1-3H3,(H,20,24)/t12-,13-/m0/s1.
What are the key properties of (4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide?
(4S)-3,3-dimethyl-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 346.40 g/mol, XLogP of 3.14, 4 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-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 99833781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).