(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

C14H21F3N2O2 — CID 39907738

IUPAC(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C14H21F3N2O2/c1-8-2-4-9(5-3-8)18-12(20)10-6-7-11(14(15,16)17)19-13(10)21/h8-11H,2-7H2,1H3,(H,18,20)(H,19,21)/t8?,9?,10-,11+/m0/s1
InChIKeyCMYGDAXJGWHZLH-WFBLGPOFSA-N
MW306.33 g/mol
LogP2.14
Rot. Bonds2

About (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide

(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (PubChem CID 39907738) has the molecular formula C14H21F3N2O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
PubChem CID39907738
Molecular FormulaC14H21F3N2O2
Molecular Weight306.33 g/mol
Exact Mass306.16
IUPAC Name(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
SMILESCC1CCC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1
InChIInChI=1S/C14H21F3N2O2/c1-8-2-4-9(5-3-8)18-12(20)10-6-7-11(14(15,16)17)19-13(10)21/h8-11H,2-7H2,1H3,(H,18,20)(H,19,21)/t8?,9?,10-,11+/m0/s1
InChIKeyCMYGDAXJGWHZLH-WFBLGPOFSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]acetic acid
CID 119350377
N-[2-(methylamino)propyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide;hydrochloride
CID 120828583
N-(7-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904031
(3R,6S)-N-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 98423363
N-(6-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171903990
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 120944954
2-oxo-N-(4-pyrrolidin-1-ylphenyl)-6-(trifluoromethyl)piperidine-3-carboxamide
CID 43073026
N-(5-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 171904083
(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 127296472
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide
CID 112829490
(2R)-2-[methyl-[(3R,6S)-2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]propanoic acid
CID 124781074
2-[methyl-[2-oxo-6-(trifluoromethyl)piperidine-3-carbonyl]amino]propanoic acid
CID 119359094

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The IUPAC name of (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide (CID 39907738) is (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The canonical SMILES for (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is CC1CCC(NC(=O)[C@@H]2CC[C@H](C(F)(F)F)NC2=O)CC1.
What is the InChIKey of (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
The InChIKey is CMYGDAXJGWHZLH-WFBLGPOFSA-N. The full InChI is InChI=1S/C14H21F3N2O2/c1-8-2-4-9(5-3-8)18-12(20)10-6-7-11(14(15,16)17)19-13(10)21/h8-11H,2-7H2,1H3,(H,18,20)(H,19,21)/t8?,9?,10-,11+/m0/s1.
What are the key properties of (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide?
(3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide has a molecular weight of 306.33 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-N-(4-methylcyclohexyl)-2-oxo-6-(trifluoromethyl)piperidine-3-carboxamide is sourced from PubChem (CID 39907738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).