(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C17H19F3N4O2 — CID 59108578

IUPAC(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CN(Cc2ccc(-c3ccccn3)o2)CCN1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)11-23-16(25)14-10-24(8-7-22-14)9-12-4-5-15(26-12)13-3-1-2-6-21-13/h1-6,14,22H,7-11H2,(H,23,25)/t14-/m0/s1
InChIKeyAWICYUCHNLPBHT-AWEZNQCLSA-N
MW368.36 g/mol
LogP1.79
Rot. Bonds5

About (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 59108578) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID59108578
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC Name(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESO=C(NCC(F)(F)F)[C@@H]1CN(Cc2ccc(-c3ccccn3)o2)CCN1
InChIInChI=1S/C17H19F3N4O2/c18-17(19,20)11-23-16(25)14-10-24(8-7-22-14)9-12-4-5-15(26-12)13-3-1-2-6-21-13/h1-6,14,22H,7-11H2,(H,23,25)/t14-/m0/s1
InChIKeyAWICYUCHNLPBHT-AWEZNQCLSA-N
XLogP1.79
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 59108578) is (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is O=C(NCC(F)(F)F)[C@@H]1CN(Cc2ccc(-c3ccccn3)o2)CCN1.
What is the InChIKey of (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is AWICYUCHNLPBHT-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c18-17(19,20)11-23-16(25)14-10-24(8-7-22-14)9-12-4-5-15(26-12)13-3-1-2-6-21-13/h1-6,14,22H,7-11H2,(H,23,25)/t14-/m0/s1.
What are the key properties of (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
(2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(5-pyridin-2-ylfuran-2-yl)methyl]-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 59108578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).