N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O2 — CID 114760302

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-13(21)5-6-18-8-13)12(20)10-3-2-4-11(7-10)14(15,16)17/h10-11,18,21H,2-9H2,1H3
InChIKeyOQPAVXDJZOEFDA-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.54
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114760302) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114760302
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-13(21)5-6-18-8-13)12(20)10-3-2-4-11(7-10)14(15,16)17/h10-11,18,21H,2-9H2,1H3
InChIKeyOQPAVXDJZOEFDA-UHFFFAOYSA-N
XLogP1.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-3-oxopropyl]adamantane-1-carboxamide
CID 60341302
N-[(1-hydroxycyclopentyl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78962878
N-(2-ethyl-2-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79019740
N-(2-hydroxy-2-methylbutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79039175
N-(2-hydroxy-2-methylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 79039207
[3-(Methylaminomethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81478739
N-(2-hydroxy-2,4-dimethylpentyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929519
N-(2-hydroxy-2,4-dimethylpentyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81929520
4,4-difluoro-N-(2-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 81932642
N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932654
N-(2-hydroxy-2-methylbutyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932663
4,4-difluoro-N-(2-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 81932664

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114760302) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is CN(CC1(O)CCNC1)C(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is OQPAVXDJZOEFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-19(9-13(21)5-6-18-8-13)12(20)10-3-2-4-11(7-10)14(15,16)17/h10-11,18,21H,2-9H2,1H3.
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114760302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).