N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide

C14H23F3N2O2 — CID 114760252

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-13(21)6-7-18-8-13)12(20)10-2-4-11(5-3-10)14(15,16)17/h10-11,18,21H,2-9H2,1H3
InChIKeyZOTAPUHVMMJJRZ-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.54
Rot. Bonds3

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 114760252) 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-4-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID114760252
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCN(CC1(O)CCNC1)C(=O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H23F3N2O2/c1-19(9-13(21)6-7-18-8-13)12(20)10-2-4-11(5-3-10)14(15,16)17/h10-11,18,21H,2-9H2,1H3
InChIKeyZOTAPUHVMMJJRZ-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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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide (CID 114760252) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide is CN(CC1(O)CCNC1)C(=O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is ZOTAPUHVMMJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-19(9-13(21)6-7-18-8-13)12(20)10-2-4-11(5-3-10)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-4-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-N-methyl-4-(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-4-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 114760252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).