N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

C13H21F3N2O2 — CID 114760750

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)11(19)18-8-12(20)5-6-17-7-12/h9-10,17,20H,1-8H2,(H,18,19)
InChIKeyWPTARJXBFUOFEA-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.20
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114760750) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114760750
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1(O)CCNC1)C1CCCCC1C(F)(F)F
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)11(19)18-8-12(20)5-6-17-7-12/h9-10,17,20H,1-8H2,(H,18,19)
InChIKeyWPTARJXBFUOFEA-UHFFFAOYSA-N
XLogP1.20
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 72002113
4,4-difluoro-N-(2-hydroxy-2-methylbutyl)cyclohexane-1-carboxamide
CID 81932664
N-(2-ethyl-2-hydroxybutyl)-4,4-difluorocyclohexane-1-carboxamide
CID 81932699
4,4-difluoro-N-[(1-hydroxycyclopentyl)methyl]cyclohexane-1-carboxamide
CID 81932736
4-cyclohexyl-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 96449306
4-cyclohexyl-1-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 96449307
2-cyclohexyl-1-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 96449311
2-cyclohexyl-1-[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 96449312
4-Cyclohexyl-1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]butan-1-one
CID 102558035
N-(2-hydroxy-2-methylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103713119
(3-Hydroxy-3-methylpyrrolidin-1-yl)-[2-(trifluoromethyl)cyclohexyl]methanone
CID 103745668
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103840019

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114760750) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1(O)CCNC1)C1CCCCC1C(F)(F)F.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is WPTARJXBFUOFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-4-2-1-3-9(10)11(19)18-8-12(20)5-6-17-7-12/h9-10,17,20H,1-8H2,(H,18,19).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114760750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).