4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide

C14H25F3N2O3 — CID 97334289

IUPAC4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOCC[C@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)C
InChIInChI=1S/C14H25F3N2O3/c1-10(2)11(4-9-22-3)18-12(20)19-7-5-13(21,6-8-19)14(15,16)17/h10-11,21H,4-9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyREKMEZIRHYZVCV-NSHDSACASA-N
MW326.36 g/mol
LogP2.15
Rot. Bonds5

About 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide

4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide (PubChem CID 97334289) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
PubChem CID97334289
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC Name4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide
SMILESCOCC[C@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)C
InChIInChI=1S/C14H25F3N2O3/c1-10(2)11(4-9-22-3)18-12(20)19-7-5-13(21,6-8-19)14(15,16)17/h10-11,21H,4-9H2,1-3H3,(H,18,20)/t11-/m0/s1
InChIKeyREKMEZIRHYZVCV-NSHDSACASA-N
XLogP2.15
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methoxy-4-methylpentan-2-yl)-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboxamide
CID 71861942
3-(hydroxymethyl)-N-(1,1,1-trifluoro-4,4-dimethylpentan-2-yl)piperidine-1-carboxamide
CID 75506486
1-[(2S)-1-hydroxypropan-2-yl]-3-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]urea
CID 91650241
N-ethyl-7-hydroxy-7-(trifluoromethyl)-4-azaspiro[2.5]octane-4-carboxamide
CID 177037826
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
CID 71968507
N-butyl-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75393787
N-[2-[ethyl(propan-2-yl)amino]ethyl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443029
4-hydroxy-4-(trifluoromethyl)-N-(2,2,4-trimethylpentyl)piperidine-1-carboxamide
CID 75443053
4-hydroxy-N-(1-methoxy-4-methylpentan-3-yl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75443058
4-hydroxy-N-(2-methoxycyclohexyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75471767
4-hydroxy-N-(3-methoxy-2,2,3-trimethylcyclobutyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75471770
N-[4-(dimethylamino)-3,3-dimethylbutan-2-yl]-4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxamide
CID 75471771

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide (CID 97334289) is 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide is COCC[C@H](NC(=O)N1CCC(O)(C(F)(F)F)CC1)C(C)C.
What is the InChIKey of 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
The InChIKey is REKMEZIRHYZVCV-NSHDSACASA-N. The full InChI is InChI=1S/C14H25F3N2O3/c1-10(2)11(4-9-22-3)18-12(20)19-7-5-13(21,6-8-19)14(15,16)17/h10-11,21H,4-9H2,1-3H3,(H,18,20)/t11-/m0/s1.
What are the key properties of 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide?
4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3S)-1-methoxy-4-methylpentan-3-yl]-4-(trifluoromethyl)piperidine-1-carboxamide is sourced from PubChem (CID 97334289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).