N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

C15H25ClF3N3O3 — CID 120888824

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)CCNCC1.Cl
InChIInChI=1S/C15H24F3N3O3.ClH/c1-24-10-14(2-4-19-5-3-14)8-20-13(23)11-6-12(22)21(7-11)9-15(16,17)18;/h11,19H,2-10H2,1H3,(H,20,23);1H
InChIKeySXJVJWJHPJAVTI-UHFFFAOYSA-N
MW387.83 g/mol
LogP0.95
Rot. Bonds6

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120888824) has the molecular formula C15H25ClF3N3O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120888824
Molecular FormulaC15H25ClF3N3O3
Molecular Weight387.83 g/mol
Exact Mass387.15
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCOCC1(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)CCNCC1.Cl
InChIInChI=1S/C15H24F3N3O3.ClH/c1-24-10-14(2-4-19-5-3-14)8-20-13(23)11-6-12(22)21(7-11)9-15(16,17)18;/h11,19H,2-10H2,1H3,(H,20,23);1H
InChIKeySXJVJWJHPJAVTI-UHFFFAOYSA-N
XLogP0.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride (CID 120888824) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is COCC1(CNC(=O)C2CC(=O)N(CC(F)(F)F)C2)CCNCC1.Cl.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SXJVJWJHPJAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3.ClH/c1-24-10-14(2-4-19-5-3-14)8-20-13(23)11-6-12(22)21(7-11)9-15(16,17)18;/h11,19H,2-10H2,1H3,(H,20,23);1H.
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 387.83 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120888824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).