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

C13H21F3N2O2 — CID 120946137

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CNCC1O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-3-1-2-8(4-10)12(20)18-6-9-5-17-7-11(9)19/h8-11,17,19H,1-7H2,(H,18,20)
InChIKeyPJHLIOGFTSSQEB-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.05
Rot. Bonds3

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

N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 120946137) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID120946137
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(NCC1CNCC1O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)10-3-1-2-8(4-10)12(20)18-6-9-5-17-7-11(9)19/h8-11,17,19H,1-7H2,(H,18,20)
InChIKeyPJHLIOGFTSSQEB-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 120946137) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(NCC1CNCC1O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is PJHLIOGFTSSQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)10-3-1-2-8(4-10)12(20)18-6-9-5-17-7-11(9)19/h8-11,17,19H,1-7H2,(H,18,20).
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 120946137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).