N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C13H21ClF3N3O2 — CID 119336683

IUPACN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCN1
InChIInChI=1S/C13H20F3N3O2.ClH/c14-13(15,16)12(21)19-6-3-9(4-7-19)8-18-11(20)10-2-1-5-17-10;/h9-10,17H,1-8H2,(H,18,20);1H
InChIKeyVTRFPHWNQUMSQW-UHFFFAOYSA-N
MW343.78 g/mol
LogP1.08
Rot. Bonds3

About N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 119336683) has the molecular formula C13H21ClF3N3O2 and a molecular weight of 343.78 g/mol. Its IUPAC name is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID119336683
Molecular FormulaC13H21ClF3N3O2
Molecular Weight343.78 g/mol
Exact Mass343.13
IUPAC NameN-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCN1
InChIInChI=1S/C13H20F3N3O2.ClH/c14-13(15,16)12(21)19-6-3-9(4-7-19)8-18-11(20)10-2-1-5-17-10;/h9-10,17H,1-8H2,(H,18,20);1H
InChIKeyVTRFPHWNQUMSQW-UHFFFAOYSA-N
XLogP1.08
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 119336683) is N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is Cl.O=C(NCC1CCN(C(=O)C(F)(F)F)CC1)C1CCCN1.
What is the InChIKey of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is VTRFPHWNQUMSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3O2.ClH/c14-13(15,16)12(21)19-6-3-9(4-7-19)8-18-11(20)10-2-1-5-17-10;/h9-10,17H,1-8H2,(H,18,20);1H.
What are the key properties of N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 343.78 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119336683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).